(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride

C10H14Cl2N2O — CID 119262651

IUPAC(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)[C@@H](C)N)c(Cl)c1.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-6-3-4-9(8(11)5-6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H/t7-;/m1./s1
InChIKeyZZYWRYWXFITDKT-OGFXRTJISA-N
MW249.14 g/mol
LogP2.36
Rot. Bonds2

About (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride

(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride (PubChem CID 119262651) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
PubChem CID119262651
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)[C@@H](C)N)c(Cl)c1.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-6-3-4-9(8(11)5-6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H/t7-;/m1./s1
InChIKeyZZYWRYWXFITDKT-OGFXRTJISA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride (CID 119262651) is (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride is Cc1ccc(NC(=O)[C@@H](C)N)c(Cl)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride?
The InChIKey is ZZYWRYWXFITDKT-OGFXRTJISA-N. The full InChI is InChI=1S/C10H13ClN2O.ClH/c1-6-3-4-9(8(11)5-6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 2.36, 2 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-chloro-4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119262651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).