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

C17H19ClN2O — CID 43700671

IUPAC2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
SMILESCN(C)Cc1ccc(NC(=O)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(2)12-13-8-10-15(11-9-13)19-17(21)16(18)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,21)
InChIKeyHPWVBADBWIYYLG-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.67
Rot. Bonds5

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

2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide (PubChem CID 43700671) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
PubChem CID43700671
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
SMILESCN(C)Cc1ccc(NC(=O)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(2)12-13-8-10-15(11-9-13)19-17(21)16(18)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,21)
InChIKeyHPWVBADBWIYYLG-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.67
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

(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
4-[4-[(dimethylamino)methyl]anilino]-4-oxobutanoic acid
CID 54868215
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
CID 62811265
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide (CID 43700671) is 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide is CN(C)Cc1ccc(NC(=O)C(Cl)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide?
The InChIKey is HPWVBADBWIYYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(2)12-13-8-10-15(11-9-13)19-17(21)16(18)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide?
2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 43700671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).