(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride

C12H15Cl2FN2O — CID 119333045

IUPAC(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CC1c1c(F)cccc1Cl.Cl
InChIInChI=1S/C12H14ClFN2O.ClH/c1-6(15)12(17)16-10-5-7(10)11-8(13)3-2-4-9(11)14;/h2-4,6-7,10H,5,15H2,1H3,(H,16,17);1H/t6-,7?,10?;/m1./s1
InChIKeyNHJQETUNUSPCEY-LBDRIZBCSA-N
MW293.17 g/mol
LogP2.22
Rot. Bonds3

About (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride (PubChem CID 119333045) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride
PubChem CID119333045
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CC1c1c(F)cccc1Cl.Cl
InChIInChI=1S/C12H14ClFN2O.ClH/c1-6(15)12(17)16-10-5-7(10)11-8(13)3-2-4-9(11)14;/h2-4,6-7,10H,5,15H2,1H3,(H,16,17);1H/t6-,7?,10?;/m1./s1
InChIKeyNHJQETUNUSPCEY-LBDRIZBCSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride (CID 119333045) is (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NC1CC1c1c(F)cccc1Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride?
The InChIKey is NHJQETUNUSPCEY-LBDRIZBCSA-N. The full InChI is InChI=1S/C12H14ClFN2O.ClH/c1-6(15)12(17)16-10-5-7(10)11-8(13)3-2-4-9(11)14;/h2-4,6-7,10H,5,15H2,1H3,(H,16,17);1H/t6-,7?,10?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride has a molecular weight of 293.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride is sourced from PubChem (CID 119333045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).