3-chloro-4-methyl-N-phenacylbenzamide

C16H14ClNO2 — CID 64991400

IUPAC3-chloro-4-methyl-N-phenacylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H14ClNO2/c1-11-7-8-13(9-14(11)17)16(20)18-10-15(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyXFKFQMCJTBEOOV-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.26
Rot. Bonds4

About 3-chloro-4-methyl-N-phenacylbenzamide

3-chloro-4-methyl-N-phenacylbenzamide (PubChem CID 64991400) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-phenacylbenzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-phenacylbenzamide
PubChem CID64991400
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-chloro-4-methyl-N-phenacylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H14ClNO2/c1-11-7-8-13(9-14(11)17)16(20)18-10-15(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyXFKFQMCJTBEOOV-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-phenacylbenzamide?
The IUPAC name of 3-chloro-4-methyl-N-phenacylbenzamide (CID 64991400) is 3-chloro-4-methyl-N-phenacylbenzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-phenacylbenzamide?
The canonical SMILES for 3-chloro-4-methyl-N-phenacylbenzamide is Cc1ccc(C(=O)NCC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-phenacylbenzamide?
The InChIKey is XFKFQMCJTBEOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-7-8-13(9-14(11)17)16(20)18-10-15(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 3-chloro-4-methyl-N-phenacylbenzamide?
3-chloro-4-methyl-N-phenacylbenzamide has a molecular weight of 287.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-phenacylbenzamide is sourced from PubChem (CID 64991400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).