2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide

C17H19ClN2O — CID 115376593

IUPAC2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(Cl)c2ccccc2)cc1N(C)C
InChIInChI=1S/C17H19ClN2O/c1-12-9-10-14(11-15(12)20(2)3)19-17(21)16(18)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,19,21)
InChIKeyAIKDXKZLGGZFEN-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.98
Rot. Bonds4

About 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide

2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide (PubChem CID 115376593) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
PubChem CID115376593
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(Cl)c2ccccc2)cc1N(C)C
InChIInChI=1S/C17H19ClN2O/c1-12-9-10-14(11-15(12)20(2)3)19-17(21)16(18)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,19,21)
InChIKeyAIKDXKZLGGZFEN-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
CID 43700671
(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 1066481
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide
CID 107582669
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide (CID 115376593) is 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide is Cc1ccc(NC(=O)C(Cl)c2ccccc2)cc1N(C)C.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide?
The InChIKey is AIKDXKZLGGZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-9-10-14(11-15(12)20(2)3)19-17(21)16(18)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide?
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 115376593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).