N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide

C24H23FN2O2 — CID 46537955

IUPACN-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C24H23FN2O2/c1-17(27(2)23(28)15-18-8-6-12-21(25)14-18)20-11-7-13-22(16-20)26-24(29)19-9-4-3-5-10-19/h3-14,16-17H,15H2,1-2H3,(H,26,29)
InChIKeySKMZDDXQQYIHBS-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.84
Rot. Bonds6

About N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide

N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide (PubChem CID 46537955) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
PubChem CID46537955
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C24H23FN2O2/c1-17(27(2)23(28)15-18-8-6-12-21(25)14-18)20-11-7-13-22(16-20)26-24(29)19-9-4-3-5-10-19/h3-14,16-17H,15H2,1-2H3,(H,26,29)
InChIKeySKMZDDXQQYIHBS-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
CID 34215372
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
N-[3-[(1R)-1-[[2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]-methylamino]ethyl]phenyl]benzamide
CID 51728404
N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 46688043
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
CID 31870263
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide (CID 46537955) is N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide is CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide?
The InChIKey is SKMZDDXQQYIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-17(27(2)23(28)15-18-8-6-12-21(25)14-18)20-11-7-13-22(16-20)26-24(29)19-9-4-3-5-10-19/h3-14,16-17H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide?
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46537955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).