(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide

C19H21F2NO — CID 31195240

IUPAC(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C19H21F2NO/c1-3-7-16(14-8-5-4-6-9-14)19(23)22-13(2)15-10-11-17(20)18(21)12-15/h4-6,8-13,16H,3,7H2,1-2H3,(H,22,23)/t13-,16-/m0/s1
InChIKeyUZLLGPYJRNKBTF-BBRMVZONSA-N
MW317.38 g/mol
LogP4.73
Rot. Bonds6

About (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide

(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide (PubChem CID 31195240) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
PubChem CID31195240
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C19H21F2NO/c1-3-7-16(14-8-5-4-6-9-14)19(23)22-13(2)15-10-11-17(20)18(21)12-15/h4-6,8-13,16H,3,7H2,1-2H3,(H,22,23)/t13-,16-/m0/s1
InChIKeyUZLLGPYJRNKBTF-BBRMVZONSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-phenylpentanamide
CID 18133869
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124689942
(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453817
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide?
The IUPAC name of (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide (CID 31195240) is (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide is CCC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide?
The InChIKey is UZLLGPYJRNKBTF-BBRMVZONSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-3-7-16(14-8-5-4-6-9-14)19(23)22-13(2)15-10-11-17(20)18(21)12-15/h4-6,8-13,16H,3,7H2,1-2H3,(H,22,23)/t13-,16-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide?
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide has a molecular weight of 317.38 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide is sourced from PubChem (CID 31195240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).