3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid

C22H18ClNO3 — CID 78319505

IUPAC3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cc(-c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C22H18ClNO3/c1-13-6-8-16(15-4-3-5-18(23)10-15)11-19(13)21(25)24-20-12-17(22(26)27)9-7-14(20)2/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKeyVDYYPAGZRZXHDT-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.57
Rot. Bonds4

About 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid

3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid (PubChem CID 78319505) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
PubChem CID78319505
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cc(-c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C22H18ClNO3/c1-13-6-8-16(15-4-3-5-18(23)10-15)11-19(13)21(25)24-20-12-17(22(26)27)9-7-14(20)2/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKeyVDYYPAGZRZXHDT-UHFFFAOYSA-N
XLogP5.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
CID 78319441
4-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
CID 78319440
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
5-(3-chlorophenyl)-2-methylbenzoyl chloride
CID 90329291
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
CID 28668607
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
3,5-dichloro-4-[[5-(3-methoxyphenyl)-2-methylbenzoyl]amino]benzoic acid
CID 78319377
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid (CID 78319505) is 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1cc(-c2cccc(Cl)c2)ccc1C.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid?
The InChIKey is VDYYPAGZRZXHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-13-6-8-16(15-4-3-5-18(23)10-15)11-19(13)21(25)24-20-12-17(22(26)27)9-7-14(20)2/h3-12H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid?
3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid has a molecular weight of 379.84 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 78319505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).