2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid

C23H16ClNO3 — CID 57393522

IUPAC2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H16ClNO3/c24-17-12-10-16(11-13-17)23(28)25-20-9-5-4-8-18(20)19(14-21(26)27)22(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)
InChIKeyCTOLGLQYKWARIE-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.28
Rot. Bonds4

About 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid

2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid (PubChem CID 57393522) has the molecular formula C23H16ClNO3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid
PubChem CID57393522
Molecular FormulaC23H16ClNO3
Molecular Weight389.84 g/mol
Exact Mass389.08
IUPAC Name2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H16ClNO3/c24-17-12-10-16(11-13-17)23(28)25-20-9-5-4-8-18(20)19(14-21(26)27)22(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)
InChIKeyCTOLGLQYKWARIE-UHFFFAOYSA-N
XLogP5.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2-hydroxycarbazol-9-yl)methanone
CID 20787891
2-[2-methyl-1-(4-nitrobenzoyl)indol-3-yl]acetic acid
CID 23092919
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid
CID 10126045
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
2-[1-(4-chlorobenzoyl)-2-methyl-5-(3-oxo-3-phenylmethoxypropoxy)carbonylindol-3-yl]acetic acid
CID 10324815
2-[1-[4-(1,3-benzodioxol-2-ylmethoxy)benzoyl]-2-methylindol-3-yl]acetic acid
CID 58740948
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
2-[1-(4-chlorobenzoyl)-2-[(dimethylamino)methyl]-5-(1-hydroxyethyl)indol-3-yl]acetic acid
CID 70878343
(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
CID 11211027
9-(4-chlorobenzoyl)-6-phenylmethoxycarbazole-3-carboxylic acid
CID 141445343

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid (CID 57393522) is 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid?
The InChIKey is CTOLGLQYKWARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3/c24-17-12-10-16(11-13-17)23(28)25-20-9-5-4-8-18(20)19(14-21(26)27)22(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27).
What are the key properties of 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid?
2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid has a molecular weight of 389.84 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-2-phenylindol-3-yl]acetic acid is sourced from PubChem (CID 57393522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).