2-(furan-2-carbonylamino)-4-methoxybenzoic acid

C13H11NO5 — CID 110465753

IUPAC2-(furan-2-carbonylamino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C13H11NO5/c1-18-8-4-5-9(13(16)17)10(7-8)14-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRERQRHOZFSOTIC-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.24
Rot. Bonds4

About 2-(furan-2-carbonylamino)-4-methoxybenzoic acid

2-(furan-2-carbonylamino)-4-methoxybenzoic acid (PubChem CID 110465753) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-4-methoxybenzoic acid
PubChem CID110465753
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-(furan-2-carbonylamino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C13H11NO5/c1-18-8-4-5-9(13(16)17)10(7-8)14-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRERQRHOZFSOTIC-UHFFFAOYSA-N
XLogP2.24
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
CID 81305282
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
N-[2-[(4-methoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
CID 25250119
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-4-methoxybenzoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-4-methoxybenzoic acid (CID 110465753) is 2-(furan-2-carbonylamino)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-4-methoxybenzoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)c2ccco2)c1.
What is the InChIKey of 2-(furan-2-carbonylamino)-4-methoxybenzoic acid?
The InChIKey is RERQRHOZFSOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-18-8-4-5-9(13(16)17)10(7-8)14-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(furan-2-carbonylamino)-4-methoxybenzoic acid?
2-(furan-2-carbonylamino)-4-methoxybenzoic acid has a molecular weight of 261.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-4-methoxybenzoic acid is sourced from PubChem (CID 110465753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).