N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide

C19H16N2O4 — CID 3164150

IUPACN-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1O
InChIInChI=1S/C19H16N2O4/c1-12-5-2-3-6-14(12)18(23)21-15-9-8-13(11-16(15)22)20-19(24)17-7-4-10-25-17/h2-11,22H,1H3,(H,20,24)(H,21,23)
InChIKeyWLESDUZJFHSHDG-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.80
Rot. Bonds4

About N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide

N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 3164150) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID3164150
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1O
InChIInChI=1S/C19H16N2O4/c1-12-5-2-3-6-14(12)18(23)21-15-9-8-13(11-16(15)22)20-19(24)17-7-4-10-25-17/h2-11,22H,1H3,(H,20,24)(H,21,23)
InChIKeyWLESDUZJFHSHDG-UHFFFAOYSA-N
XLogP3.80
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124
N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 17359487
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 39887582
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide (CID 3164150) is N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide is Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1O.
What is the InChIKey of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is WLESDUZJFHSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-5-2-3-6-14(12)18(23)21-15-9-8-13(11-16(15)22)20-19(24)17-7-4-10-25-17/h2-11,22H,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3164150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).