2,6-dichloro-N,N-dicyclohexylbenzamide

C19H25Cl2NO — CID 3555098

IUPAC2,6-dichloro-N,N-dicyclohexylbenzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25Cl2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
InChIKeyXUUBGLCAKOEYEP-UHFFFAOYSA-N
MW354.32 g/mol
LogP6.10
Rot. Bonds3

About 2,6-dichloro-N,N-dicyclohexylbenzamide

2,6-dichloro-N,N-dicyclohexylbenzamide (PubChem CID 3555098) has the molecular formula C19H25Cl2NO and a molecular weight of 354.32 g/mol. Its IUPAC name is 2,6-dichloro-N,N-dicyclohexylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-dicyclohexylbenzamide
PubChem CID3555098
Molecular FormulaC19H25Cl2NO
Molecular Weight354.32 g/mol
Exact Mass353.13
IUPAC Name2,6-dichloro-N,N-dicyclohexylbenzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25Cl2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
InChIKeyXUUBGLCAKOEYEP-UHFFFAOYSA-N
XLogP6.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
CID 57339501
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
CID 2214995
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
CID 143724449
2-chloro-6-cyclopentylbenzoic acid
CID 90041585
2-chloro-6-cyclopentylbenzoyl chloride
CID 90041864
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-dicyclohexylbenzamide?
The IUPAC name of 2,6-dichloro-N,N-dicyclohexylbenzamide (CID 3555098) is 2,6-dichloro-N,N-dicyclohexylbenzamide.
What is the SMILES notation for 2,6-dichloro-N,N-dicyclohexylbenzamide?
The canonical SMILES for 2,6-dichloro-N,N-dicyclohexylbenzamide is O=C(c1c(Cl)cccc1Cl)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,6-dichloro-N,N-dicyclohexylbenzamide?
The InChIKey is XUUBGLCAKOEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2.
What are the key properties of 2,6-dichloro-N,N-dicyclohexylbenzamide?
2,6-dichloro-N,N-dicyclohexylbenzamide has a molecular weight of 354.32 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-dicyclohexylbenzamide is sourced from PubChem (CID 3555098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).