N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide

C21H20N2O3 — CID 1114254

IUPACN-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-14(2)15-5-7-16(8-6-15)20(24)22-17-9-11-18(12-10-17)23-21(25)19-4-3-13-26-19/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyFBAUQNMZMJRFHZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.91
Rot. Bonds5

About N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide

N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1114254) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1114254
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-14(2)15-5-7-16(8-6-15)20(24)22-17-9-11-18(12-10-17)23-21(25)19-4-3-13-26-19/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyFBAUQNMZMJRFHZ-UHFFFAOYSA-N
XLogP4.91
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 30183964
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 51205981
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 134054275
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide (CID 1114254) is N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide is CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is FBAUQNMZMJRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(2)15-5-7-16(8-6-15)20(24)22-17-9-11-18(12-10-17)23-21(25)19-4-3-13-26-19/h3-14H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide?
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1114254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).