N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide

C28H25FN2O4 — CID 46045951

IUPACN-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C28H25FN2O4/c1-34-25-8-3-6-22(17-25)28(33)31(19-21-5-2-7-23(29)15-21)24-12-10-20(11-13-24)16-27(32)30-18-26-9-4-14-35-26/h2-15,17H,16,18-19H2,1H3,(H,30,32)
InChIKeyDPWJOENOUXDCHG-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.13
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide

N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide (PubChem CID 46045951) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
PubChem CID46045951
Molecular FormulaC28H25FN2O4
Molecular Weight472.52 g/mol
Exact Mass472.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C28H25FN2O4/c1-34-25-8-3-6-22(17-25)28(33)31(19-21-5-2-7-23(29)15-21)24-12-10-20(11-13-24)16-27(32)30-18-26-9-4-14-35-26/h2-15,17H,16,18-19H2,1H3,(H,30,32)
InChIKeyDPWJOENOUXDCHG-UHFFFAOYSA-N
XLogP5.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-[(3-fluorophenyl)methyl]-3-methoxy-N-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93291337
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046802
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 46045658
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 42852835
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
CID 46045835
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide (CID 46045951) is N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
The InChIKey is DPWJOENOUXDCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4/c1-34-25-8-3-6-22(17-25)28(33)31(19-21-5-2-7-23(29)15-21)24-12-10-20(11-13-24)16-27(32)30-18-26-9-4-14-35-26/h2-15,17H,16,18-19H2,1H3,(H,30,32).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide?
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide has a molecular weight of 472.52 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 46045951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).