2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide

C13H19ClN2O — CID 119339868

IUPAC2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
SMILESCC(C)(CNC(=O)CN)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,9-16-12(17)8-15)7-10-4-3-5-11(14)6-10/h3-6H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyAPVSEDLDOCQPTJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide

2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide (PubChem CID 119339868) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
PubChem CID119339868
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
SMILESCC(C)(CNC(=O)CN)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,9-16-12(17)8-15)7-10-4-3-5-11(14)6-10/h3-6H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyAPVSEDLDOCQPTJ-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]heptanamide
CID 119812049
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
3-[[[3-(3-chlorophenyl)-2,2-dimethylpropyl]amino]methyl]benzoic acid
CID 122031915
3-[[3-(3-chlorophenyl)-2,2-dimethylpropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122006055
N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119812067
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 12013692
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119319553
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide?
The IUPAC name of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide (CID 119339868) is 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide is CC(C)(CNC(=O)CN)Cc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide?
The InChIKey is APVSEDLDOCQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,9-16-12(17)8-15)7-10-4-3-5-11(14)6-10/h3-6H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide?
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide has a molecular weight of 254.76 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 119339868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).