N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide

C21H17Cl2NO — CID 1019297

IUPACN-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl2NO/c22-19-12-11-17(13-20(19)23)24-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,24,25)
InChIKeySXWPEXHOKABXTP-UHFFFAOYSA-N
MW370.28 g/mol
LogP6.15
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide

N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide (PubChem CID 1019297) has the molecular formula C21H17Cl2NO and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
PubChem CID1019297
Molecular FormulaC21H17Cl2NO
Molecular Weight370.28 g/mol
Exact Mass369.07
IUPAC NameN-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl2NO/c22-19-12-11-17(13-20(19)23)24-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,24,25)
InChIKeySXWPEXHOKABXTP-UHFFFAOYSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(2S)-4-(3,4-dichloroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 1125985
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
4-(3,4-dichloroanilino)-4-oxo-2-phenylsulfanylbutanoic acid
CID 134117749
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 45428443

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide (CID 1019297) is N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide?
The InChIKey is SXWPEXHOKABXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO/c22-19-12-11-17(13-20(19)23)24-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide?
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide has a molecular weight of 370.28 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 1019297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).