4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane

C110H105ClF3N13O10 — CID 158813240

IUPAC4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane
SMILESCC.CC.CC.CC.CC.N#Cc1cc(C(=O)NO)ccc1Cn1c2ccccc2c2ccccc21.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)c(Cl)c1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cn1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C21H15F3N2O2.C21H15N3O2.C20H15ClN2O2.2C19H15N3O2.5C2H6/c22-21(23,24)17-11-13(20(27)25-28)9-10-14(17)12-26-18-7-3-1-5-15(18)16-6-2-4-8-19(16)26;22-12-16-11-14(21(25)23-26)9-10-15(16)13-24-19-7-3-1-5-17(19)18-6-2-4-8-20(18)24;21-17-11-13(20(24)22-25)9-10-14(17)12-23-18-7-3-1-5-15(18)16-6-2-4-8-19(16)23;23-19(21-24)13-9-10-14(20-11-13)12-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22;23-19(21-24)16-10-9-13(11-20-16)12-22-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22;5*1-2/h1-11,28H,12H2,(H,25,27);1-11,26H,13H2,(H,23,25);1-11,25H,12H2,(H,22,24);2*1-11,24H,12H2,(H,21,23);5*1-2H3
InChIKeyIUYGFUNJHFZRKB-UHFFFAOYSA-N
MW1861.58 g/mol
LogP25.27
Rot. Bonds15

About 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane

4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane (PubChem CID 158813240) has the molecular formula C110H105ClF3N13O10 and a molecular weight of 1861.58 g/mol. Its IUPAC name is 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane.

Molecular Properties

Compound Name4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane
PubChem CID158813240
Molecular FormulaC110H105ClF3N13O10
Molecular Weight1861.58 g/mol
Exact Mass1859.77
IUPAC Name4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane
SMILESCC.CC.CC.CC.CC.N#Cc1cc(C(=O)NO)ccc1Cn1c2ccccc2c2ccccc21.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)c(Cl)c1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cn1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C21H15F3N2O2.C21H15N3O2.C20H15ClN2O2.2C19H15N3O2.5C2H6/c22-21(23,24)17-11-13(20(27)25-28)9-10-14(17)12-26-18-7-3-1-5-15(18)16-6-2-4-8-19(16)26;22-12-16-11-14(21(25)23-26)9-10-15(16)13-24-19-7-3-1-5-17(19)18-6-2-4-8-20(18)24;21-17-11-13(20(24)22-25)9-10-14(17)12-23-18-7-3-1-5-15(18)16-6-2-4-8-19(16)23;23-19(21-24)13-9-10-14(20-11-13)12-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22;23-19(21-24)16-10-9-13(11-20-16)12-22-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22;5*1-2/h1-11,28H,12H2,(H,25,27);1-11,26H,13H2,(H,23,25);1-11,25H,12H2,(H,22,24);2*1-11,24H,12H2,(H,21,23);5*1-2H3
InChIKeyIUYGFUNJHFZRKB-UHFFFAOYSA-N
XLogP25.27
TPSA320.87 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.58
LogP ≤ 525.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane?
The IUPAC name of 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane (CID 158813240) is 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane.
What is the SMILES notation for 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane?
The canonical SMILES for 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane is CC.CC.CC.CC.CC.N#Cc1cc(C(=O)NO)ccc1Cn1c2ccccc2c2ccccc21.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)c(Cl)c1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)cn1.O=C(NO)c1ccc(Cn2c3ccccc3c3ccccc32)nc1.
What is the InChIKey of 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane?
The InChIKey is IUYGFUNJHFZRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2.C21H15N3O2.C20H15ClN2O2.2C19H15N3O2.5C2H6/c22-21(23,24)17-11-13(20(27)25-28)9-10-14(17)12-26-18-7-3-1-5-15(18)16-6-2-4-8-19(16)26;22-12-16-11-14(21(25)23-26)9-10-15(16)13-24-19-7-3-1-5-17(19)18-6-2-4-8-20(18)24;21-17-11-13(20(24)22-25)9-10-14(17)12-23-18-7-3-1-5-15(18)16-6-2-4-8-19(16)23;23-19(21-24)13-9-10-14(20-11-13)12-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22;23-19(21-24)16-10-9-13(11-20-16)12-22-17-7-3-1-5-14(17)15-6-2-4-8-18(15)22;5*1-2/h1-11,28H,12H2,(H,25,27);1-11,26H,13H2,(H,23,25);1-11,25H,12H2,(H,22,24);2*1-11,24H,12H2,(H,21,23);5*1-2H3.
What are the key properties of 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane?
4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane has a molecular weight of 1861.58 g/mol, XLogP of 25.27, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbazol-9-ylmethyl)-3-chloro-N-hydroxybenzamide;4-(carbazol-9-ylmethyl)-3-cyano-N-hydroxybenzamide;5-(carbazol-9-ylmethyl)-N-hydroxypyridine-2-carboxamide;6-(carbazol-9-ylmethyl)-N-hydroxypyridine-3-carboxamide;4-(carbazol-9-ylmethyl)-N-hydroxy-3-(trifluoromethyl)benzamide;ethane is sourced from PubChem (CID 158813240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).