2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid

C20H17NO4 — CID 42859169

IUPAC2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C20H17NO4/c22-19(23)13-16-8-4-9-17(12-16)21(14-15-6-2-1-3-7-15)20(24)18-10-5-11-25-18/h1-12H,13-14H2,(H,22,23)
InChIKeyKVPDDYBEYAVTGF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.75
Rot. Bonds6

About 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid

2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 42859169) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
PubChem CID42859169
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C20H17NO4/c22-19(23)13-16-8-4-9-17(12-16)21(14-15-6-2-1-3-7-15)20(24)18-10-5-11-25-18/h1-12H,13-14H2,(H,22,23)
InChIKeyKVPDDYBEYAVTGF-UHFFFAOYSA-N
XLogP3.75
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
CID 46056418
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
N,N-dibenzylfuran-2-carboxamide
CID 762503
2-[3-(N-phenylanilino)phenyl]acetic acid
CID 170886645
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
N-(3-chlorophenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740649
N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 28769132
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
3-[N-(furan-2-carbonyl)-3,4-dimethylanilino]propanoic acid
CID 82321480
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid (CID 42859169) is 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1.
What is the InChIKey of 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is KVPDDYBEYAVTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(23)13-16-8-4-9-17(12-16)21(14-15-6-2-1-3-7-15)20(24)18-10-5-11-25-18/h1-12H,13-14H2,(H,22,23).
What are the key properties of 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid?
2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 42859169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).