N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride

C11H16Cl2N2O — CID 120509175

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(7-13)14-11(15)6-9-2-4-10(12)5-3-9;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyZEXXEAIWLPMBOB-QRPNPIFTSA-N
MW263.17 g/mol
LogP1.77
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride (PubChem CID 120509175) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
PubChem CID120509175
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(7-13)14-11(15)6-9-2-4-10(12)5-3-9;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyZEXXEAIWLPMBOB-QRPNPIFTSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride (CID 120509175) is N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride is C[C@@H](CN)NC(=O)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride?
The InChIKey is ZEXXEAIWLPMBOB-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-8(7-13)14-11(15)6-9-2-4-10(12)5-3-9;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120509175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).