(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride

C11H15Cl2N3O2 — CID 119310318

IUPAC(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H14ClN3O2.ClH/c1-6(13)11(17)15-9-4-3-8(12)5-10(9)14-7(2)16;/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17);1H/t6-;/m0./s1
InChIKeyXEZFETKEOWGVSU-RGMNGODLSA-N
MW292.17 g/mol
LogP2.01
Rot. Bonds3

About (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride

(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride (PubChem CID 119310318) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
PubChem CID119310318
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H14ClN3O2.ClH/c1-6(13)11(17)15-9-4-3-8(12)5-10(9)14-7(2)16;/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17);1H/t6-;/m0./s1
InChIKeyXEZFETKEOWGVSU-RGMNGODLSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-(2-acetamido-4-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 111446363
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride?
The IUPAC name of (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride (CID 119310318) is (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride?
The canonical SMILES for (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride is CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride?
The InChIKey is XEZFETKEOWGVSU-RGMNGODLSA-N. The full InChI is InChI=1S/C11H14ClN3O2.ClH/c1-6(13)11(17)15-9-4-3-8(12)5-10(9)14-7(2)16;/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17);1H/t6-;/m0./s1.
What are the key properties of (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride?
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride has a molecular weight of 292.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119310318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).