2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid

C16H16N2O3 — CID 62948083

IUPAC2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid
SMILESCc1c(NC(=O)N(C)c2ccccc2)cccc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-11-13(15(19)20)9-6-10-14(11)17-16(21)18(2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,21)(H,19,20)
InChIKeyBAUCYOHCBLZLCS-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid

2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid (PubChem CID 62948083) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid
PubChem CID62948083
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid
SMILESCc1c(NC(=O)N(C)c2ccccc2)cccc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-11-13(15(19)20)9-6-10-14(11)17-16(21)18(2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,21)(H,19,20)
InChIKeyBAUCYOHCBLZLCS-UHFFFAOYSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid
CID 19030577
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62948763
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046
3-[[(E)-3-carboxyprop-2-enoyl]amino]-2-methylbenzoic acid
CID 54868437
2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823
3-[3-(dimethylamino)propylcarbamoylamino]-2-methylbenzoic acid
CID 62948260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid (CID 62948083) is 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid is Cc1c(NC(=O)N(C)c2ccccc2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid?
The InChIKey is BAUCYOHCBLZLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-13(15(19)20)9-6-10-14(11)17-16(21)18(2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid?
2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 62948083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).