N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide

C18H18ClNO2 — CID 70695207

IUPACN-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide
SMILESCCCC(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2/c1-2-6-16(17(21)13-9-11-15(19)12-10-13)20-18(22)14-7-4-3-5-8-14/h3-5,7-12,16H,2,6H2,1H3,(H,20,22)
InChIKeyCCOLQUBNOXCEDT-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.12
Rot. Bonds6

About N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide

N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide (PubChem CID 70695207) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide
PubChem CID70695207
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC NameN-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide
SMILESCCCC(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2/c1-2-6-16(17(21)13-9-11-15(19)12-10-13)20-18(22)14-7-4-3-5-8-14/h3-5,7-12,16H,2,6H2,1H3,(H,20,22)
InChIKeyCCOLQUBNOXCEDT-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide (CID 70695207) is N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide is CCCC(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide?
The InChIKey is CCOLQUBNOXCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-2-6-16(17(21)13-9-11-15(19)12-10-13)20-18(22)14-7-4-3-5-8-14/h3-5,7-12,16H,2,6H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide?
N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide has a molecular weight of 315.80 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 70695207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).