3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid

C22H17Cl2NO4 — CID 78319377

IUPAC3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid
SMILESCOc1cccc(-c2ccc(C)c(C(=O)Nc3c(Cl)cc(C(=O)O)cc3Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-12-6-7-14(13-4-3-5-16(8-13)29-2)9-17(12)21(26)25-20-18(23)10-15(22(27)28)11-19(20)24/h3-11H,1-2H3,(H,25,26)(H,27,28)
InChIKeyYYFCPAHQPLLTFU-UHFFFAOYSA-N
MW430.29 g/mol
LogP5.93
Rot. Bonds5

About 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid

3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid (PubChem CID 78319377) has the molecular formula C22H17Cl2NO4 and a molecular weight of 430.29 g/mol. Its IUPAC name is 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid
PubChem CID78319377
Molecular FormulaC22H17Cl2NO4
Molecular Weight430.29 g/mol
Exact Mass429.05
IUPAC Name3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid
SMILESCOc1cccc(-c2ccc(C)c(C(=O)Nc3c(Cl)cc(C(=O)O)cc3Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-12-6-7-14(13-4-3-5-16(8-13)29-2)9-17(12)21(26)25-20-18(23)10-15(22(27)28)11-19(20)24/h3-11H,1-2H3,(H,25,26)(H,27,28)
InChIKeyYYFCPAHQPLLTFU-UHFFFAOYSA-N
XLogP5.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
CID 78319440
3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
4-[[(1S)-1-carboxy-2-[4-(3-methoxyphenyl)phenyl]ethyl]carbamoyl]-3-chlorobenzoic acid
CID 174412836
4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
CID 78319441
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid (CID 78319377) is 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid is COc1cccc(-c2ccc(C)c(C(=O)Nc3c(Cl)cc(C(=O)O)cc3Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid?
The InChIKey is YYFCPAHQPLLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4/c1-12-6-7-14(13-4-3-5-16(8-13)29-2)9-17(12)21(26)25-20-18(23)10-15(22(27)28)11-19(20)24/h3-11H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid?
3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid has a molecular weight of 430.29 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 78319377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).