3-chloro-N,N-diphenylpropanamide

C15H14ClNO — CID 3331408

IUPAC3-chloro-N,N-diphenylpropanamide
SMILESO=C(CCCl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14ClNO/c16-12-11-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyRZSJRNOPOVKTCM-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.98
Rot. Bonds4

About 3-chloro-N,N-diphenylpropanamide

3-chloro-N,N-diphenylpropanamide (PubChem CID 3331408) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-chloro-N,N-diphenylpropanamide.

Molecular Properties

Compound Name3-chloro-N,N-diphenylpropanamide
PubChem CID3331408
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-chloro-N,N-diphenylpropanamide
SMILESO=C(CCCl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14ClNO/c16-12-11-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyRZSJRNOPOVKTCM-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diphenyldodecanediamide
CID 70400318
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
3-hydroxy-N-(4-hydroxyphenyl)-N-phenylpropanamide
CID 134339234
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
CID 6912772
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535
4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
CID 51362140
CID 159685847
CID 159685847

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diphenylpropanamide?
The IUPAC name of 3-chloro-N,N-diphenylpropanamide (CID 3331408) is 3-chloro-N,N-diphenylpropanamide.
What is the SMILES notation for 3-chloro-N,N-diphenylpropanamide?
The canonical SMILES for 3-chloro-N,N-diphenylpropanamide is O=C(CCCl)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloro-N,N-diphenylpropanamide?
The InChIKey is RZSJRNOPOVKTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-12-11-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3-chloro-N,N-diphenylpropanamide?
3-chloro-N,N-diphenylpropanamide has a molecular weight of 259.74 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diphenylpropanamide is sourced from PubChem (CID 3331408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).