N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C26H21FN2O3 — CID 55582804

IUPACN-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C26H21FN2O3/c1-17-9-10-20(16-22(17)28-26(31)23-8-5-15-32-23)25(30)29-24(18-6-3-2-4-7-18)19-11-13-21(27)14-12-19/h2-16,24H,1H3,(H,28,31)(H,29,30)
InChIKeyKOYIDIIGOQUJBH-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.50
Rot. Bonds6

About N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 55582804) has the molecular formula C26H21FN2O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID55582804
Molecular FormulaC26H21FN2O3
Molecular Weight428.46 g/mol
Exact Mass428.15
IUPAC NameN-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C26H21FN2O3/c1-17-9-10-20(16-22(17)28-26(31)23-8-5-15-32-23)25(30)29-24(18-6-3-2-4-7-18)19-11-13-21(27)14-12-19/h2-16,24H,1H3,(H,28,31)(H,29,30)
InChIKeyKOYIDIIGOQUJBH-UHFFFAOYSA-N
XLogP5.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
CID 55687173
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4795361
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 75512395

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 55582804) is N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is KOYIDIIGOQUJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3/c1-17-9-10-20(16-22(17)28-26(31)23-8-5-15-32-23)25(30)29-24(18-6-3-2-4-7-18)19-11-13-21(27)14-12-19/h2-16,24H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 55582804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).