N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide

C27H24N2O3 — CID 56522910

IUPACN-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C27H24N2O3/c1-19-15-16-20(18-23(19)28-26(31)24-14-9-17-32-24)25(30)29-27(2,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-18H,1-2H3,(H,28,31)(H,29,30)
InChIKeyBTGSFTMWUSBUGX-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.53
Rot. Bonds6

About N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide

N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 56522910) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID56522910
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C27H24N2O3/c1-19-15-16-20(18-23(19)28-26(31)24-14-9-17-32-24)25(30)29-27(2,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-18H,1-2H3,(H,28,31)(H,29,30)
InChIKeyBTGSFTMWUSBUGX-UHFFFAOYSA-N
XLogP5.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119572236
N-[5-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119597416
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55582804
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide (CID 56522910) is N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NC(C)(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is BTGSFTMWUSBUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-19-15-16-20(18-23(19)28-26(31)24-14-9-17-32-24)25(30)29-27(2,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-18H,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 56522910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).