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

C23H21FN2O3 — CID 42852835

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NC1CC1
InChIInChI=1S/C23H21FN2O3/c24-18-4-1-3-17(13-18)15-26(23(28)21-5-2-12-29-21)20-10-6-16(7-11-20)14-22(27)25-19-8-9-19/h1-7,10-13,19H,8-9,14-15H2,(H,25,27)
InChIKeyHJMNUGNUEOODHV-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.09
Rot. Bonds7

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

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 42852835) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID42852835
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NC1CC1
InChIInChI=1S/C23H21FN2O3/c24-18-4-1-3-17(13-18)15-26(23(28)21-5-2-12-29-21)20-10-6-16(7-11-20)14-22(27)25-19-8-9-19/h1-7,10-13,19H,8-9,14-15H2,(H,25,27)
InChIKeyHJMNUGNUEOODHV-UHFFFAOYSA-N
XLogP4.09
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052561
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046802
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46045906
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide (CID 42852835) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide is O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NC1CC1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is HJMNUGNUEOODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-18-4-1-3-17(13-18)15-26(23(28)21-5-2-12-29-21)20-10-6-16(7-11-20)14-22(27)25-19-8-9-19/h1-7,10-13,19H,8-9,14-15H2,(H,25,27).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42852835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).