6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid

C23H14Cl3NO3 — CID 134224175

IUPAC6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
SMILESO=C(c1ccc(Cl)cc1)c1c(C(=O)O)n(Cc2ccc(Cl)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C23H14Cl3NO3/c24-15-5-1-13(2-6-15)12-27-19-11-17(26)9-10-18(19)20(21(27)23(29)30)22(28)14-3-7-16(25)8-4-14/h1-11H,12H2,(H,29,30)
InChIKeyFPUGVWXYVZGIEJ-UHFFFAOYSA-N
MW458.73 g/mol
LogP6.58
Rot. Bonds5

About 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid

6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid (PubChem CID 134224175) has the molecular formula C23H14Cl3NO3 and a molecular weight of 458.73 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
PubChem CID134224175
Molecular FormulaC23H14Cl3NO3
Molecular Weight458.73 g/mol
Exact Mass457.00
IUPAC Name6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
SMILESO=C(c1ccc(Cl)cc1)c1c(C(=O)O)n(Cc2ccc(Cl)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C23H14Cl3NO3/c24-15-5-1-13(2-6-15)12-27-19-11-17(26)9-10-18(19)20(21(27)23(29)30)22(28)14-3-7-16(25)8-4-14/h1-11H,12H2,(H,29,30)
InChIKeyFPUGVWXYVZGIEJ-UHFFFAOYSA-N
XLogP6.58
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
CID 154125562
1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylic acid
CID 19914749
2-[(4-carboxyphenyl)methyl]-6-chloro-1-oxo-4-phenylisoquinoline-3-carboxylic acid
CID 23060646
1-benzyl-3-(3-bromophenyl)sulfanyl-6-chloroindole-2-carboxylic acid
CID 66765609
6-carbamimidoyl-1-[(4-carbamoylphenyl)methyl]-3-chloroindole-2-carboxylic acid
CID 146459830
6-chloro-3-(4-chlorobenzenecarboximidoyl)-1-(4-chlorophenyl)indole-2-carboxylic acid
CID 134224083
1-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinoline-6-carboxylic acid
CID 126478672
5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
CID 82487412
2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetic acid
CID 67982164
3-[(4-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062852
3-[(benzylamino)methyl]-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 53207248
6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
CID 10979548

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid (CID 134224175) is 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid is O=C(c1ccc(Cl)cc1)c1c(C(=O)O)n(Cc2ccc(Cl)cc2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid?
The InChIKey is FPUGVWXYVZGIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3NO3/c24-15-5-1-13(2-6-15)12-27-19-11-17(26)9-10-18(19)20(21(27)23(29)30)22(28)14-3-7-16(25)8-4-14/h1-11H,12H2,(H,29,30).
What are the key properties of 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid?
6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid has a molecular weight of 458.73 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 134224175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).