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

2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
CID 105401788
2-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395
2-[4-(dimethylamino)phenyl]-2-(4-methylanilino)acetamide
CID 61006085
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
2-(2-chloroanilino)-2-(2-ethylphenyl)acetamide
CID 62416652
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(2-chloroanilino)-2-(3-cyanophenyl)acetamide
CID 61006310
2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
CID 114239350
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-(2-chloroanilino)-2-(2,4-difluorophenyl)acetamide
CID 61006519

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).