2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid

C16H16N2O3 — CID 60838242

IUPAC2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
SMILESNC(=O)c1cccc(CN(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c17-16(21)13-6-4-5-12(9-13)10-18(11-15(19)20)14-7-2-1-3-8-14/h1-9H,10-11H2,(H2,17,21)(H,19,20)
InChIKeyXZLVNROLLZRTSX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.88
Rot. Bonds6

About 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid

2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid (PubChem CID 60838242) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
PubChem CID60838242
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
SMILESNC(=O)c1cccc(CN(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c17-16(21)13-6-4-5-12(9-13)10-18(11-15(19)20)14-7-2-1-3-8-14/h1-9H,10-11H2,(H2,17,21)(H,19,20)
InChIKeyXZLVNROLLZRTSX-UHFFFAOYSA-N
XLogP1.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[[3-(difluoromethyl)phenyl]methyl]anilino]acetic acid
CID 115529550
2-[N-[(3,4-dihydroxyphenyl)methyl]anilino]acetic acid
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2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-benzylbenzamide;hydrochloride
CID 159409318
2-[N-[(3-cyano-4-fluorophenyl)methyl]anilino]acetic acid
CID 107882880
3-[(N-carbamoylanilino)methyl]benzoic acid
CID 67799196
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
CID 91589407
2-[4-chloro-N-[(3-fluorophenyl)methyl]anilino]acetic acid
CID 60834960
3-[(dipropylamino)methyl]benzamide
CID 82041313

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid (CID 60838242) is 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid is NC(=O)c1cccc(CN(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid?
The InChIKey is XZLVNROLLZRTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-16(21)13-6-4-5-12(9-13)10-18(11-15(19)20)14-7-2-1-3-8-14/h1-9H,10-11H2,(H2,17,21)(H,19,20).
What are the key properties of 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid?
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 60838242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).