N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide

C18H16ClNO2 — CID 70695209

IUPACN-[1-(4-chlorobenzoyl)cyclobutyl]benzamide
SMILESO=C(NC1(C(=O)c2ccc(Cl)cc2)CCC1)c1ccccc1
InChIInChI=1S/C18H16ClNO2/c19-15-9-7-13(8-10-15)16(21)18(11-4-12-18)20-17(22)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,20,22)
InChIKeyFRSDPIARWJPKMP-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide

N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide (PubChem CID 70695209) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorobenzoyl)cyclobutyl]benzamide
PubChem CID70695209
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC NameN-[1-(4-chlorobenzoyl)cyclobutyl]benzamide
SMILESO=C(NC1(C(=O)c2ccc(Cl)cc2)CCC1)c1ccccc1
InChIInChI=1S/C18H16ClNO2/c19-15-9-7-13(8-10-15)16(21)18(11-4-12-18)20-17(22)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,20,22)
InChIKeyFRSDPIARWJPKMP-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide?
The IUPAC name of N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide (CID 70695209) is N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide.
What is the SMILES notation for N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide?
The canonical SMILES for N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide is O=C(NC1(C(=O)c2ccc(Cl)cc2)CCC1)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide?
The InChIKey is FRSDPIARWJPKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-15-9-7-13(8-10-15)16(21)18(11-4-12-18)20-17(22)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,20,22).
What are the key properties of N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide?
N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide has a molecular weight of 313.78 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobenzoyl)cyclobutyl]benzamide is sourced from PubChem (CID 70695209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).