2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide

C14H21FN2O — CID 81348779

IUPAC2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-9(2)8-13(16)14(18)17-10(3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10-,13?/m1/s1
InChIKeyAWNVVCLELBOWEL-VUUHIHSGSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds5

About 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide

2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide (PubChem CID 81348779) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
PubChem CID81348779
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-9(2)8-13(16)14(18)17-10(3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10-,13?/m1/s1
InChIKeyAWNVVCLELBOWEL-VUUHIHSGSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide (CID 81348779) is 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide is CC(C)CC(N)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is AWNVVCLELBOWEL-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)8-13(16)14(18)17-10(3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)/t10-,13?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide?
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81348779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).