(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

C13H17FN2O — CID 119293598

IUPAC(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-9(15)12(17)16-8-13(6-7-13)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyCJMOURMADFTLRG-SECBINFHSA-N
MW236.29 g/mol
LogP1.32
Rot. Bonds4

About (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (PubChem CID 119293598) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
PubChem CID119293598
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-9(15)12(17)16-8-13(6-7-13)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyCJMOURMADFTLRG-SECBINFHSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide 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-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119293591
(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-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (CID 119293598) is (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is C[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The InChIKey is CJMOURMADFTLRG-SECBINFHSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(15)12(17)16-8-13(6-7-13)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide has a molecular weight of 236.29 g/mol, XLogP of 1.32, 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-(4-fluorophenyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 119293598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).