2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid

C28H21ClN2O4 — CID 141226865

IUPAC2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(C(O)C(=O)O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1
InChIInChI=1S/C28H21ClN2O4/c29-19-11-9-17(10-12-19)18-13-21(26(32)28(34)35)25-23(14-18)31(15-16-5-2-1-3-6-16)22-8-4-7-20(24(22)25)27(30)33/h1-14,26,32H,15H2,(H2,30,33)(H,34,35)
InChIKeyZWJUZXJEZAULHX-UHFFFAOYSA-N
MW484.94 g/mol
LogP5.38
Rot. Bonds6

About 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid

2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid (PubChem CID 141226865) has the molecular formula C28H21ClN2O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid
PubChem CID141226865
Molecular FormulaC28H21ClN2O4
Molecular Weight484.94 g/mol
Exact Mass484.12
IUPAC Name2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(C(O)C(=O)O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1
InChIInChI=1S/C28H21ClN2O4/c29-19-11-9-17(10-12-19)18-13-21(26(32)28(34)35)25-23(14-18)31(15-16-5-2-1-3-6-16)22-8-4-7-20(24(22)25)27(30)33/h1-14,26,32H,15H2,(H2,30,33)(H,34,35)
InChIKeyZWJUZXJEZAULHX-UHFFFAOYSA-N
XLogP5.38
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226844
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(4-chlorophenyl)-9-[(3-cyanophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22741187
2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226866
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
9-[(2-benzylphenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
CID 22741129
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042

Frequently Asked Questions

What is the IUPAC name of 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid (CID 141226865) is 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid is NC(=O)c1cccc2c1c1c(C(O)C(=O)O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1.
What is the InChIKey of 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid?
The InChIKey is ZWJUZXJEZAULHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O4/c29-19-11-9-17(10-12-19)18-13-21(26(32)28(34)35)25-23(14-18)31(15-16-5-2-1-3-6-16)22-8-4-7-20(24(22)25)27(30)33/h1-14,26,32H,15H2,(H2,30,33)(H,34,35).
What are the key properties of 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid?
2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid has a molecular weight of 484.94 g/mol, XLogP of 5.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 141226865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).