(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide

C10H13ClN2O — CID 22690501

IUPAC(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H](C)N
InChIInChI=1S/C10H13ClN2O/c1-6-5-8(11)3-4-9(6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeySOCZMKHMJWPSII-ZETCQYMHSA-N
MW212.68 g/mol
LogP1.93
Rot. Bonds2

About (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide

(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 22690501) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID22690501
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H](C)N
InChIInChI=1S/C10H13ClN2O/c1-6-5-8(11)3-4-9(6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeySOCZMKHMJWPSII-ZETCQYMHSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide (CID 22690501) is (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is SOCZMKHMJWPSII-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6-5-8(11)3-4-9(6)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide?
(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 212.68 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 22690501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).