3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide

C17H19ClN2O — CID 16889424

IUPAC3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(2)16-8-6-13(7-9-16)10-11-19-17(21)14-4-3-5-15(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyZWWCNKQUOGGQQE-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.38
Rot. Bonds5

About 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide

3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide (PubChem CID 16889424) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
PubChem CID16889424
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(2)16-8-6-13(7-9-16)10-11-19-17(21)14-4-3-5-15(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyZWWCNKQUOGGQQE-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-chloro-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide
CID 110787887
[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495923
[(1S)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide (CID 16889424) is 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide is CN(C)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The InChIKey is ZWWCNKQUOGGQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(2)16-8-6-13(7-9-16)10-11-19-17(21)14-4-3-5-15(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 16889424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).