(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride

C15H21ClF2N2O — CID 119312905

IUPAC(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCC1(c2c(F)cccc2F)CCCC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-10(18)14(20)19-9-15(7-2-3-8-15)13-11(16)5-4-6-12(13)17;/h4-6,10H,2-3,7-9,18H2,1H3,(H,19,20);1H/t10-;/m0./s1
InChIKeyIBUGEJARJHEMLM-PPHPATTJSA-N
MW318.79 g/mol
LogP2.66
Rot. Bonds4

About (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride

(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride (PubChem CID 119312905) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
PubChem CID119312905
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.79 g/mol
Exact Mass318.13
IUPAC Name(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCC1(c2c(F)cccc2F)CCCC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-10(18)14(20)19-9-15(7-2-3-8-15)13-11(16)5-4-6-12(13)17;/h4-6,10H,2-3,7-9,18H2,1H3,(H,19,20);1H/t10-;/m0./s1
InChIKeyIBUGEJARJHEMLM-PPHPATTJSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride (CID 119312905) is (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCC1(c2c(F)cccc2F)CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride?
The InChIKey is IBUGEJARJHEMLM-PPHPATTJSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-10(18)14(20)19-9-15(7-2-3-8-15)13-11(16)5-4-6-12(13)17;/h4-6,10H,2-3,7-9,18H2,1H3,(H,19,20);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride has a molecular weight of 318.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119312905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).