5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid

C16H16N2O3 — CID 81269584

IUPAC5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
SMILESCc1cc(Nc2ccc(C)c(C(=O)O)c2)ccc1C(N)=O
InChIInChI=1S/C16H16N2O3/c1-9-3-4-12(8-14(9)16(20)21)18-11-5-6-13(15(17)19)10(2)7-11/h3-8,18H,1-2H3,(H2,17,19)(H,20,21)
InChIKeyGIPCAVVVUKKTAI-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.84
Rot. Bonds4

About 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid

5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid (PubChem CID 81269584) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
PubChem CID81269584
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
SMILESCc1cc(Nc2ccc(C)c(C(=O)O)c2)ccc1C(N)=O
InChIInChI=1S/C16H16N2O3/c1-9-3-4-12(8-14(9)16(20)21)18-11-5-6-13(15(17)19)10(2)7-11/h3-8,18H,1-2H3,(H2,17,19)(H,20,21)
InChIKeyGIPCAVVVUKKTAI-UHFFFAOYSA-N
XLogP2.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbamothioyl-3-methylanilino)benzamide
CID 81279521
4-(4-carbamoyl-3-methylanilino)-3-chlorobenzoic acid
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5-[(3-carbamoylpyrazin-2-yl)amino]-2-methylbenzoic acid
CID 63653354
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
5-(4-cyanoanilino)-2-methylbenzoic acid
CID 63652832
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
5-[(4-carbamoyl-3-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
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2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid?
The IUPAC name of 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid (CID 81269584) is 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid.
What is the SMILES notation for 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid?
The canonical SMILES for 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid is Cc1cc(Nc2ccc(C)c(C(=O)O)c2)ccc1C(N)=O.
What is the InChIKey of 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid?
The InChIKey is GIPCAVVVUKKTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-4-12(8-14(9)16(20)21)18-11-5-6-13(15(17)19)10(2)7-11/h3-8,18H,1-2H3,(H2,17,19)(H,20,21).
What are the key properties of 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid?
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid is sourced from PubChem (CID 81269584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).