N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide

C18H19FN2O2 — CID 51195280

IUPACN-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCc1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-13(21-18(23)15-5-3-2-4-6-15)11-17(22)20-12-14-7-9-16(19)10-8-14/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIGHNPZFVDRPIIZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.65
Rot. Bonds6

About N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide

N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide (PubChem CID 51195280) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
PubChem CID51195280
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCc1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-13(21-18(23)15-5-3-2-4-6-15)11-17(22)20-12-14-7-9-16(19)10-8-14/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIGHNPZFVDRPIIZ-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide
CID 134029595
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
N-[4-oxo-4-[(4-thiomorpholin-4-ylphenyl)methylamino]butan-2-yl]benzamide
CID 55854816
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide (CID 51195280) is N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCc1ccc(F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide?
The InChIKey is IGHNPZFVDRPIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13(21-18(23)15-5-3-2-4-6-15)11-17(22)20-12-14-7-9-16(19)10-8-14/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide?
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51195280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).