2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid

C20H17NO4 — CID 878893

IUPAC2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C20H17NO4/c1-13-17(12-18(25-13)15-5-3-2-4-6-15)20(24)21-16-9-7-14(8-10-16)11-19(22)23/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyZMJVHHYEDXRKOA-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.13
Rot. Bonds5

About 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid

2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 878893) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid
PubChem CID878893
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C20H17NO4/c1-13-17(12-18(25-13)15-5-3-2-4-6-15)20(24)21-16-9-7-14(8-10-16)11-19(22)23/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyZMJVHHYEDXRKOA-UHFFFAOYSA-N
XLogP4.13
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-3-furancarboxanilide
CID 34281
2,5-dimethyl-N-(naphthalen-2-yl)furan-3-carboxamide
CID 757751
3-{3-[(2-Methyl-5-phenyl-3-furoyl)amino]phenyl}acrylic acid
CID 673109
2-[[(E)-3-[5-(4-carboxyphenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 15991111
4-{[4-(3-Ethoxyphenyl)-2,6-difluorophenyl]carbamoyl}furan-3-carboxylic acid
CID 23647308
4-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}furan-3-carboxylic acid
CID 23647309
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 155535169
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
Ethyl 4-{[5-(2-furyl)-3-oxo-1-cyclohexen-1-yl]amino}benzoate
CID 2878114
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid (CID 878893) is 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid is Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is ZMJVHHYEDXRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13-17(12-18(25-13)15-5-3-2-4-6-15)20(24)21-16-9-7-14(8-10-16)11-19(22)23/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid?
2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 878893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).