N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide

C28H25FN2O3 — CID 46046322

IUPACN-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C28H25FN2O3/c1-20-4-2-5-23(16-20)19-31(28(33)26-6-3-15-34-26)25-13-9-21(10-14-25)17-27(32)30-18-22-7-11-24(29)12-8-22/h2-16H,17-19H2,1H3,(H,30,32)
InChIKeyOJGNFPZRERFKTO-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.43
Rot. Bonds8

About N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide

N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 46046322) has the molecular formula C28H25FN2O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
PubChem CID46046322
Molecular FormulaC28H25FN2O3
Molecular Weight456.52 g/mol
Exact Mass456.18
IUPAC NameN-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C28H25FN2O3/c1-20-4-2-5-23(16-20)19-31(28(33)26-6-3-15-34-26)25-13-9-21(10-14-25)17-27(32)30-18-22-7-11-24(29)12-8-22/h2-16H,17-19H2,1H3,(H,30,32)
InChIKeyOJGNFPZRERFKTO-UHFFFAOYSA-N
XLogP5.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1449926
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957999
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 42852835
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046017
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide (CID 46046322) is N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide is Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is OJGNFPZRERFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3/c1-20-4-2-5-23(16-20)19-31(28(33)26-6-3-15-34-26)25-13-9-21(10-14-25)17-27(32)30-18-22-7-11-24(29)12-8-22/h2-16H,17-19H2,1H3,(H,30,32).
What are the key properties of N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide?
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46046322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).