N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

C21H25FN2O2 — CID 132761612

IUPACN-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1F)C(Cc1ccccc1)C(=O)NC
InChIInChI=1S/C21H25FN2O2/c1-3-9-20(25)24(15-17-12-7-8-13-18(17)22)19(21(26)23-2)14-16-10-5-4-6-11-16/h4-8,10-13,19H,3,9,14-15H2,1-2H3,(H,23,26)
InChIKeyCOSWVTVMZYSRMM-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.31
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide (PubChem CID 132761612) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
PubChem CID132761612
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1F)C(Cc1ccccc1)C(=O)NC
InChIInChI=1S/C21H25FN2O2/c1-3-9-20(25)24(15-17-12-7-8-13-18(17)22)19(21(26)23-2)14-16-10-5-4-6-11-16/h4-8,10-13,19H,3,9,14-15H2,1-2H3,(H,23,26)
InChIKeyCOSWVTVMZYSRMM-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132618619
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
CID 100612281
N-[(2,4-dichlorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132763991
2-[(2-fluorophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132615163
2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132947626
N-butyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133231748
2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171633
2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622469
(2R)-2-[3-benzylsulfanylpropanoyl-[(2-fluorophenyl)methyl]amino]-N-butyl-3-phenylpropanamide
CID 100650154
N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2-fluorophenyl)methyl]-4-phenoxybutanamide
CID 100649229
N-butan-2-yl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133233836
N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132625144

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide (CID 132761612) is N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide is CCCC(=O)N(Cc1ccccc1F)C(Cc1ccccc1)C(=O)NC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The InChIKey is COSWVTVMZYSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-3-9-20(25)24(15-17-12-7-8-13-18(17)22)19(21(26)23-2)14-16-10-5-4-6-11-16/h4-8,10-13,19H,3,9,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide has a molecular weight of 356.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 132761612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).