N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide

C30H27FN2O2 — CID 46052590

IUPACN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C30H27FN2O2/c1-32(21-24-9-4-2-5-10-24)29(34)20-23-15-17-28(18-16-23)33(22-25-11-8-14-27(31)19-25)30(35)26-12-6-3-7-13-26/h2-19H,20-22H2,1H3
InChIKeyKATVTZGUKOABNL-UHFFFAOYSA-N
MW466.56 g/mol
LogP5.87
Rot. Bonds8

About N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide

N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 46052590) has the molecular formula C30H27FN2O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID46052590
Molecular FormulaC30H27FN2O2
Molecular Weight466.56 g/mol
Exact Mass466.21
IUPAC NameN-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C30H27FN2O2/c1-32(21-24-9-4-2-5-10-24)29(34)20-23-15-17-28(18-16-23)33(22-25-11-8-14-27(31)19-25)30(35)26-12-6-3-7-13-26/h2-19H,20-22H2,1H3
InChIKeyKATVTZGUKOABNL-UHFFFAOYSA-N
XLogP5.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-methylbutanamide
CID 46052576
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046802
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
CID 46052623
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide (CID 46052590) is N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide is CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is KATVTZGUKOABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN2O2/c1-32(21-24-9-4-2-5-10-24)29(34)20-23-15-17-28(18-16-23)33(22-25-11-8-14-27(31)19-25)30(35)26-12-6-3-7-13-26/h2-19H,20-22H2,1H3.
What are the key properties of N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide?
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 46052590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).