(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide

C14H20F2N2O — CID 104903415

IUPAC(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)5-13(17)14(19)18-4-3-10-6-11(15)8-12(16)7-10/h6-9,13H,3-5,17H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyWVFLZCPZMMGMBK-CYBMUJFWSA-N
MW270.32 g/mol
LogP2.00
Rot. Bonds6

About (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide

(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide (PubChem CID 104903415) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
PubChem CID104903415
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)5-13(17)14(19)18-4-3-10-6-11(15)8-12(16)7-10/h6-9,13H,3-5,17H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyWVFLZCPZMMGMBK-CYBMUJFWSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
CID 55093625
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 81079820
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide (CID 104903415) is (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is WVFLZCPZMMGMBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)5-13(17)14(19)18-4-3-10-6-11(15)8-12(16)7-10/h6-9,13H,3-5,17H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide?
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 270.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 104903415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).