N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide

C17H18ClNO — CID 70697318

IUPACN-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20)
InChIKeyIKKLNZUWXBOJSQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP5.02
Rot. Bonds3

About N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide

N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide (PubChem CID 70697318) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide
PubChem CID70697318
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20)
InChIKeyIKKLNZUWXBOJSQ-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide (CID 70697318) is N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide is Cc1ccc(C(C)C)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide?
The InChIKey is IKKLNZUWXBOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide?
N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide has a molecular weight of 287.79 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-2-propan-2-ylbenzamide is sourced from PubChem (CID 70697318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).