2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide

C16H18ClN3O — CID 61006312

IUPAC2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)12-9-7-11(8-10-12)15(16(18)21)19-14-6-4-3-5-13(14)17/h3-10,15,19H,1-2H3,(H2,18,21)
InChIKeyVEHGZJJBNJHTGF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide

2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide (PubChem CID 61006312) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
PubChem CID61006312
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)12-9-7-11(8-10-12)15(16(18)21)19-14-6-4-3-5-13(14)17/h3-10,15,19H,1-2H3,(H2,18,21)
InChIKeyVEHGZJJBNJHTGF-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Iem 611
CID 39794
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
(2S)-N-{2-[(4-chlorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648347
1-benzyl-3-[(4-chlorophenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768117
3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768122
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729
2-(2-Chloroanilino)-2-(2,6-dichlorophenyl)acetamide
CID 486458
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 953577
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2535403
N-(3,5-dichlorophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 3450156
N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 4324124
N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 4880065

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide (CID 61006312) is 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1.
What is the InChIKey of 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is VEHGZJJBNJHTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)12-9-7-11(8-10-12)15(16(18)21)19-14-6-4-3-5-13(14)17/h3-10,15,19H,1-2H3,(H2,18,21).
What are the key properties of 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide?
2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 61006312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).