(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride

C13H18ClFN2O — CID 119332783

IUPAC(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9(15)12(17)16-8-13(5-6-13)10-3-2-4-11(14)7-10;/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17);1H/t9-;/m1./s1
InChIKeyHBRIQSKUYZULBO-SBSPUUFOSA-N
MW272.75 g/mol
LogP1.74
Rot. Bonds4

About (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride (PubChem CID 119332783) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
PubChem CID119332783
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9(15)12(17)16-8-13(5-6-13)10-3-2-4-11(14)7-10;/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17);1H/t9-;/m1./s1
InChIKeyHBRIQSKUYZULBO-SBSPUUFOSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956961
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride (CID 119332783) is (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1(c2cccc(F)c2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The InChIKey is HBRIQSKUYZULBO-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9(15)12(17)16-8-13(5-6-13)10-3-2-4-11(14)7-10;/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119332783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).