2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide

C16H17ClN2O — CID 70059360

IUPAC2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
SMILESCN(C)c1ccc(N(C(=O)CCl)c2ccccc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-18(2)13-8-10-15(11-9-13)19(16(20)12-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyIHLGATOHOZJCKL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide

2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide (PubChem CID 70059360) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
PubChem CID70059360
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
SMILESCN(C)c1ccc(N(C(=O)CCl)c2ccccc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-18(2)13-8-10-15(11-9-13)19(16(20)12-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyIHLGATOHOZJCKL-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
methyl 2-[4-(N-(2-chloroacetyl)anilino)phenyl]acetate
CID 70059484
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-diphenylacetamide
CID 3165547
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
3-chloro-N,N-diphenylpropanamide
CID 3331408
N,N-dimethylaniline;methanol
CID 143205399
N,N-dimethylaniline
CID 70392672
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide
CID 138426553
CID 69241188
CID 69241188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide (CID 70059360) is 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide is CN(C)c1ccc(N(C(=O)CCl)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide?
The InChIKey is IHLGATOHOZJCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18(2)13-8-10-15(11-9-13)19(16(20)12-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide?
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide has a molecular weight of 288.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide is sourced from PubChem (CID 70059360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).