3,4-dichloro-N-(4-oxocyclohexyl)benzamide

C13H13Cl2NO2 — CID 43652866

IUPAC3,4-dichloro-N-(4-oxocyclohexyl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H13Cl2NO2/c14-11-6-1-8(7-12(11)15)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9H,2-5H2,(H,16,18)
InChIKeyVDIPJVUGDNGDKU-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.23
Rot. Bonds2

About 3,4-dichloro-N-(4-oxocyclohexyl)benzamide

3,4-dichloro-N-(4-oxocyclohexyl)benzamide (PubChem CID 43652866) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-oxocyclohexyl)benzamide
PubChem CID43652866
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3,4-dichloro-N-(4-oxocyclohexyl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H13Cl2NO2/c14-11-6-1-8(7-12(11)15)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9H,2-5H2,(H,16,18)
InChIKeyVDIPJVUGDNGDKU-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide
CID 135431284
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-oxocyclohexyl)benzamide (CID 43652866) is 3,4-dichloro-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-oxocyclohexyl)benzamide is O=C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-(4-oxocyclohexyl)benzamide?
The InChIKey is VDIPJVUGDNGDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-11-6-1-8(7-12(11)15)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9H,2-5H2,(H,16,18).
What are the key properties of 3,4-dichloro-N-(4-oxocyclohexyl)benzamide?
3,4-dichloro-N-(4-oxocyclohexyl)benzamide has a molecular weight of 286.16 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 43652866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).