2-chloro-4-methyl-N-(3-phenylpropyl)benzamide

C17H18ClNO — CID 2234904

IUPAC2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-13-9-10-15(16(18)12-13)17(20)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)
InChIKeyDEFACEJYZUDOFO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.01
Rot. Bonds5

About 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide

2-chloro-4-methyl-N-(3-phenylpropyl)benzamide (PubChem CID 2234904) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
PubChem CID2234904
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-13-9-10-15(16(18)12-13)17(20)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20)
InChIKeyDEFACEJYZUDOFO-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide (CID 2234904) is 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide is Cc1ccc(C(=O)NCCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide?
The InChIKey is DEFACEJYZUDOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13-9-10-15(16(18)12-13)17(20)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,20).
What are the key properties of 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide?
2-chloro-4-methyl-N-(3-phenylpropyl)benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2234904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).