2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide

C15H19Cl2NO — CID 43007916

IUPAC2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2cc(Cl)ccc2Cl)C1C
InChIInChI=1S/C15H19Cl2NO/c1-9-4-3-5-14(10(9)2)18-15(19)12-8-11(16)6-7-13(12)17/h6-10,14H,3-5H2,1-2H3,(H,18,19)
InChIKeyBTBLAFBCKPTGNM-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.55
Rot. Bonds2

About 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide

2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide (PubChem CID 43007916) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
PubChem CID43007916
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2cc(Cl)ccc2Cl)C1C
InChIInChI=1S/C15H19Cl2NO/c1-9-4-3-5-14(10(9)2)18-15(19)12-8-11(16)6-7-13(12)17/h6-10,14H,3-5H2,1-2H3,(H,18,19)
InChIKeyBTBLAFBCKPTGNM-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
CID 63500408
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
CID 64920702
1-[(5-chloro-2-fluorobenzoyl)amino]-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11936447
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
3,6-dichloro-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 11913955
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
1-[(5-bromo-2-chlorobenzoyl)amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946281
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 11930384

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide (CID 43007916) is 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide is CC1CCCC(NC(=O)c2cc(Cl)ccc2Cl)C1C.
What is the InChIKey of 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide?
The InChIKey is BTBLAFBCKPTGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-9-4-3-5-14(10(9)2)18-15(19)12-8-11(16)6-7-13(12)17/h6-10,14H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide?
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide has a molecular weight of 300.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 43007916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).