7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide

C27H18ClN3O2 — CID 22741187

IUPAC7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
SMILESN#Cc1cccc(Cn2c3cc(-c4ccc(Cl)cc4)cc(O)c3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C27H18ClN3O2/c28-20-9-7-18(8-10-20)19-12-23-26(24(32)13-19)25-21(27(30)33)5-2-6-22(25)31(23)15-17-4-1-3-16(11-17)14-29/h1-13,32H,15H2,(H2,30,33)
InChIKeyUYTXFGYYIXYXRA-UHFFFAOYSA-N
MW451.91 g/mol
LogP5.84
Rot. Bonds4

About 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide

7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide (PubChem CID 22741187) has the molecular formula C27H18ClN3O2 and a molecular weight of 451.91 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
PubChem CID22741187
Molecular FormulaC27H18ClN3O2
Molecular Weight451.91 g/mol
Exact Mass451.11
IUPAC Name7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
SMILESN#Cc1cccc(Cn2c3cc(-c4ccc(Cl)cc4)cc(O)c3c3c(C(N)=O)cccc32)c1
InChIInChI=1S/C27H18ClN3O2/c28-20-9-7-18(8-10-20)19-12-23-26(24(32)13-19)25-21(27(30)33)5-2-6-22(25)31(23)15-17-4-1-3-16(11-17)14-29/h1-13,32H,15H2,(H2,30,33)
InChIKeyUYTXFGYYIXYXRA-UHFFFAOYSA-N
XLogP5.84
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.91
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740
2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226865
9-[(2-benzylphenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
CID 22741129
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
5-hydroxy-7-phenyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 22741264
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide (CID 22741187) is 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide is N#Cc1cccc(Cn2c3cc(-c4ccc(Cl)cc4)cc(O)c3c3c(C(N)=O)cccc32)c1.
What is the InChIKey of 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
The InChIKey is UYTXFGYYIXYXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3O2/c28-20-9-7-18(8-10-20)19-12-23-26(24(32)13-19)25-21(27(30)33)5-2-6-22(25)31(23)15-17-4-1-3-16(11-17)14-29/h1-13,32H,15H2,(H2,30,33).
What are the key properties of 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide?
7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide is sourced from PubChem (CID 22741187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).