2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride

C10H14Cl2N2O — CID 119279638

IUPAC2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(Cl)c(NC(=O)C(C)N)c1.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-6-3-4-8(11)9(5-6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H
InChIKeyVTBDHBPFPLEIRN-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.36
Rot. Bonds2

About 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride

2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride (PubChem CID 119279638) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
PubChem CID119279638
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(Cl)c(NC(=O)C(C)N)c1.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-6-3-4-8(11)9(5-6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H
InChIKeyVTBDHBPFPLEIRN-UHFFFAOYSA-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

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(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
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(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
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(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
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CID 107625274
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
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2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
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(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride (CID 119279638) is 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride is Cc1ccc(Cl)c(NC(=O)C(C)N)c1.Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride?
The InChIKey is VTBDHBPFPLEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O.ClH/c1-6-3-4-8(11)9(5-6)13-10(14)7(2)12;/h3-5,7H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride?
2-amino-N-(2-chloro-5-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 2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119279638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).