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

C18H21ClN2O — CID 16889854

IUPAC3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-21(2)17-10-8-14(9-11-17)5-4-12-20-18(22)15-6-3-7-16(19)13-15/h3,6-11,13H,4-5,12H2,1-2H3,(H,20,22)
InChIKeyIUQAUKQMVLNGCS-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.77
Rot. Bonds6

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

3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide (PubChem CID 16889854) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
PubChem CID16889854
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-21(2)17-10-8-14(9-11-17)5-4-12-20-18(22)15-6-3-7-16(19)13-15/h3,6-11,13H,4-5,12H2,1-2H3,(H,20,22)
InChIKeyIUQAUKQMVLNGCS-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-3-nitrobenzamide
CID 16889873
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
4-cyano-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889856
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide (CID 16889854) is 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide is CN(C)c1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The InChIKey is IUQAUKQMVLNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-21(2)17-10-8-14(9-11-17)5-4-12-20-18(22)15-6-3-7-16(19)13-15/h3,6-11,13H,4-5,12H2,1-2H3,(H,20,22).
What are the key properties of 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide has a molecular weight of 316.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide is sourced from PubChem (CID 16889854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).