2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride

C12H18Cl2N2O — CID 119327061

IUPAC2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)C(NC(=O)CN)c1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8(2)12(15-11(16)7-14)9-5-3-4-6-10(9)13;/h3-6,8,12H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyVGDZFCORCDKYDI-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride

2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119327061) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119327061
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.20 g/mol
Exact Mass276.08
IUPAC Name2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)C(NC(=O)CN)c1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8(2)12(15-11(16)7-14)9-5-3-4-6-10(9)13;/h3-6,8,12H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyVGDZFCORCDKYDI-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
CID 86954292
2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
CID 86954296
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
CID 111414339
(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124844009
4-[[1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122002394
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119327061) is 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride is CC(C)C(NC(=O)CN)c1ccccc1Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is VGDZFCORCDKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-8(2)12(15-11(16)7-14)9-5-3-4-6-10(9)13;/h3-6,8,12H,7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119327061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).