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

C13H17ClF2N2O2 — CID 103830934

IUPAC(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF2N2O2/c1-2-3-4-10(17)12(19)18-8-5-6-11(9(14)7-8)20-13(15)16/h5-7,10,13H,2-4,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHFQOQBIIERGVNR-JTQLQIEISA-N
MW306.74 g/mol
LogP3.40
Rot. Bonds7

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

(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide (PubChem CID 103830934) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
PubChem CID103830934
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC Name(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H17ClF2N2O2/c1-2-3-4-10(17)12(19)18-8-5-6-11(9(14)7-8)20-13(15)16/h5-7,10,13H,2-4,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHFQOQBIIERGVNR-JTQLQIEISA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide (CID 103830934) is (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide?
The InChIKey is HFQOQBIIERGVNR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17ClF2N2O2/c1-2-3-4-10(17)12(19)18-8-5-6-11(9(14)7-8)20-13(15)16/h5-7,10,13H,2-4,17H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide?
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide has a molecular weight of 306.74 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide is sourced from PubChem (CID 103830934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).