(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride

C13H17ClF2N2O — CID 120873749

IUPAC(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8(16)12(18)17-7-13(4-5-13)10-3-2-9(14)6-11(10)15;/h2-3,6,8H,4-5,7,16H2,1H3,(H,17,18);1H/t8-;/m1./s1
InChIKeySBDSGROJCDDGPE-DDWIOCJRSA-N
MW290.74 g/mol
LogP1.88
Rot. Bonds4

About (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride (PubChem CID 120873749) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
PubChem CID120873749
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8(16)12(18)17-7-13(4-5-13)10-3-2-9(14)6-11(10)15;/h2-3,6,8H,4-5,7,16H2,1H3,(H,17,18);1H/t8-;/m1./s1
InChIKeySBDSGROJCDDGPE-DDWIOCJRSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 119036910
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
(2S)-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 97064234
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride (CID 120873749) is (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The InChIKey is SBDSGROJCDDGPE-DDWIOCJRSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-8(16)12(18)17-7-13(4-5-13)10-3-2-9(14)6-11(10)15;/h2-3,6,8H,4-5,7,16H2,1H3,(H,17,18);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 1.88, 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-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120873749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).