N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide

C16H15Cl2NO — CID 896623

IUPACN-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO/c1-10(2)11-3-5-12(6-4-11)16(20)19-13-7-8-14(17)15(18)9-13/h3-10H,1-2H3,(H,19,20)
InChIKeyFERRYXJWNTXMOT-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.37
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide

N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide (PubChem CID 896623) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
PubChem CID896623
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO/c1-10(2)11-3-5-12(6-4-11)16(20)19-13-7-8-14(17)15(18)9-13/h3-10H,1-2H3,(H,19,20)
InChIKeyFERRYXJWNTXMOT-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide (CID 896623) is N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide?
The InChIKey is FERRYXJWNTXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10(2)11-3-5-12(6-4-11)16(20)19-13-7-8-14(17)15(18)9-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide?
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide has a molecular weight of 308.21 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 896623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).