4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid

C16H16N2O3 — CID 60979283

IUPAC4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1ccccc1C(N)=O
InChIInChI=1S/C16H16N2O3/c1-18(14-5-3-2-4-13(14)15(17)19)10-11-6-8-12(9-7-11)16(20)21/h2-9H,10H2,1H3,(H2,17,19)(H,20,21)
InChIKeyWYQWGEINXGJABV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.12
Rot. Bonds5

About 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid

4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid (PubChem CID 60979283) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid
PubChem CID60979283
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1ccccc1C(N)=O
InChIInChI=1S/C16H16N2O3/c1-18(14-5-3-2-4-13(14)15(17)19)10-11-6-8-12(9-7-11)16(20)21/h2-9H,10H2,1H3,(H2,17,19)(H,20,21)
InChIKeyWYQWGEINXGJABV-UHFFFAOYSA-N
XLogP2.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[carbamoyl(methyl)amino]methyl]benzoic acid
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4-(dibenzylcarbamoyl)benzoic acid
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methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
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4-[benzyl(methyl)amino]-3-nitrobenzamide
CID 4883612
4-[[methyl-(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid?
The IUPAC name of 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid (CID 60979283) is 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid?
The canonical SMILES for 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)c1ccccc1C(N)=O.
What is the InChIKey of 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid?
The InChIKey is WYQWGEINXGJABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(14-5-3-2-4-13(14)15(17)19)10-11-6-8-12(9-7-11)16(20)21/h2-9H,10H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid?
4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid is sourced from PubChem (CID 60979283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).