N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide

C24H17ClN2O2 — CID 14596879

IUPACN-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide
SMILESCn1c2ccccc2c2ccc3cc(C(=O)Nc4ccc(Cl)cc4)c(O)cc3c21
InChIInChI=1S/C24H17ClN2O2/c1-27-21-5-3-2-4-17(21)18-11-6-14-12-20(22(28)13-19(14)23(18)27)24(29)26-16-9-7-15(25)8-10-16/h2-13,28H,1H3,(H,26,29)
InChIKeyOWMOQIXESYLMLN-UHFFFAOYSA-N
MW400.87 g/mol
LogP6.10
Rot. Bonds2

About N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide

N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide (PubChem CID 14596879) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide
PubChem CID14596879
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC NameN-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide
SMILESCn1c2ccccc2c2ccc3cc(C(=O)Nc4ccc(Cl)cc4)c(O)cc3c21
InChIInChI=1S/C24H17ClN2O2/c1-27-21-5-3-2-4-17(21)18-11-6-14-12-20(22(28)13-19(14)23(18)27)24(29)26-16-9-7-15(25)8-10-16/h2-13,28H,1H3,(H,26,29)
InChIKeyOWMOQIXESYLMLN-UHFFFAOYSA-N
XLogP6.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-11-methylnaphtho[2,1-a]carbazole
CID 89117391
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CID 71439818
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N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
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1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
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2-benzylsulfanyl-N-(4-chlorophenyl)-1-methylindole-3-carboxamide
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ethane;3-hydroxy-7-methyl-N-phenylnaphthalene-2-carboxamide;methane
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sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
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CID 4309234

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide (CID 14596879) is N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide is Cn1c2ccccc2c2ccc3cc(C(=O)Nc4ccc(Cl)cc4)c(O)cc3c21.
What is the InChIKey of N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide?
The InChIKey is OWMOQIXESYLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c1-27-21-5-3-2-4-17(21)18-11-6-14-12-20(22(28)13-19(14)23(18)27)24(29)26-16-9-7-15(25)8-10-16/h2-13,28H,1H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide?
N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 6.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 14596879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).