4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid

C19H19NO3 — CID 91397175

IUPAC4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-c1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C19H19NO3/c1-11-3-4-13(18(21)20-15-6-7-15)10-17(11)16-8-5-14(19(22)23)9-12(16)2/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFMEVTXWCINMZST-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.56
Rot. Bonds4

About 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid

4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid (PubChem CID 91397175) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
PubChem CID91397175
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-c1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C19H19NO3/c1-11-3-4-13(18(21)20-15-6-7-15)10-17(11)16-8-5-14(19(22)23)9-12(16)2/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFMEVTXWCINMZST-UHFFFAOYSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide
CID 11259111
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid?
The IUPAC name of 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid (CID 91397175) is 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-c1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid?
The InChIKey is FMEVTXWCINMZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-3-4-13(18(21)20-15-6-7-15)10-17(11)16-8-5-14(19(22)23)9-12(16)2/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid?
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid is sourced from PubChem (CID 91397175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).