(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide

C13H17ClF2N2O2 — CID 61260000

IUPAC(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF2N2O2/c1-3-7(2)11(17)12(19)18-8-4-5-10(9(14)6-8)20-13(15)16/h4-7,11,13H,3,17H2,1-2H3,(H,18,19)/t7-,11-/m0/s1
InChIKeyDPLMWLMFRBOJRM-CPCISQLKSA-N
MW306.74 g/mol
LogP3.25
Rot. Bonds6

About (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide (PubChem CID 61260000) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
PubChem CID61260000
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC Name(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF2N2O2/c1-3-7(2)11(17)12(19)18-8-4-5-10(9(14)6-8)20-13(15)16/h4-7,11,13H,3,17H2,1-2H3,(H,18,19)/t7-,11-/m0/s1
InChIKeyDPLMWLMFRBOJRM-CPCISQLKSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide (CID 61260000) is (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide?
The InChIKey is DPLMWLMFRBOJRM-CPCISQLKSA-N. The full InChI is InChI=1S/C13H17ClF2N2O2/c1-3-7(2)11(17)12(19)18-8-4-5-10(9(14)6-8)20-13(15)16/h4-7,11,13H,3,17H2,1-2H3,(H,18,19)/t7-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide has a molecular weight of 306.74 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide is sourced from PubChem (CID 61260000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).