2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide

C17H19FN2O — CID 114924929

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c18-15-9-5-4-8-14(15)12-20-17(21)16(19)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12,19H2,(H,20,21)
InChIKeyQLVZMWAPZKCODW-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.40
Rot. Bonds6

About 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide

2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide (PubChem CID 114924929) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
PubChem CID114924929
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c18-15-9-5-4-8-14(15)12-20-17(21)16(19)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12,19H2,(H,20,21)
InChIKeyQLVZMWAPZKCODW-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
CID 114955951
(2S)-2-amino-N-[[3-(aminomethyl)phenyl]methyl]-4-phenylbutanamide;dihydrochloride
CID 138011974
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide (CID 114924929) is 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide?
The InChIKey is QLVZMWAPZKCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-9-5-4-8-14(15)12-20-17(21)16(19)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12,19H2,(H,20,21).
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide?
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide has a molecular weight of 286.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 114924929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).