(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride

C10H14Cl2N2O2 — CID 119262144

IUPAC(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C10H13ClN2O2.ClH/c1-6(12)10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1
InChIKeySEFAPVNQKSNCHO-RGMNGODLSA-N
MW265.14 g/mol
LogP2.06
Rot. Bonds3

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

(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119262144) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
PubChem CID119262144
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C10H13ClN2O2.ClH/c1-6(12)10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1
InChIKeySEFAPVNQKSNCHO-RGMNGODLSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83550581
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(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
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N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
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2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
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N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
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2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride (CID 119262144) is (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride is COc1ccc(Cl)cc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is SEFAPVNQKSNCHO-RGMNGODLSA-N. The full InChI is InChI=1S/C10H13ClN2O2.ClH/c1-6(12)10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride?
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 265.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119262144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).