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

C20H18N2O4 — CID 17359026

IUPACN-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3C)cc2O)cc1
InChIInChI=1S/C20H18N2O4/c1-12-3-5-14(6-4-12)19(24)22-17-8-7-15(11-18(17)23)21-20(25)16-9-10-26-13(16)2/h3-11,23H,1-2H3,(H,21,25)(H,22,24)
InChIKeyWUFUUPNIGULNOU-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.11
Rot. Bonds4

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

N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 17359026) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID17359026
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3C)cc2O)cc1
InChIInChI=1S/C20H18N2O4/c1-12-3-5-14(6-4-12)19(24)22-17-8-7-15(11-18(17)23)21-20(25)16-9-10-26-13(16)2/h3-11,23H,1-2H3,(H,21,25)(H,22,24)
InChIKeyWUFUUPNIGULNOU-UHFFFAOYSA-N
XLogP4.11
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.11
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

4-hydroxy-3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
CID 107264605
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
5-bromo-N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 17296862
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 3164150
methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
CID 838131

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide (CID 17359026) is N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3C)cc2O)cc1.
What is the InChIKey of N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is WUFUUPNIGULNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-3-5-14(6-4-12)19(24)22-17-8-7-15(11-18(17)23)21-20(25)16-9-10-26-13(16)2/h3-11,23H,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide?
N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 4.11, 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-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 17359026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).