4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide

C15H19BrClNO — CID 81308376

IUPAC4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H19BrClNO/c1-15(2)7-5-11(6-8-15)18-14(19)10-3-4-12(16)13(17)9-10/h3-4,9,11H,5-8H2,1-2H3,(H,18,19)
InChIKeyBYUZBRITNRHCFA-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.80
Rot. Bonds2

About 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide

4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide (PubChem CID 81308376) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
PubChem CID81308376
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H19BrClNO/c1-15(2)7-5-11(6-8-15)18-14(19)10-3-4-12(16)13(17)9-10/h3-4,9,11H,5-8H2,1-2H3,(H,18,19)
InChIKeyBYUZBRITNRHCFA-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
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4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
2-[(4-bromo-3-chlorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210681
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
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CID 80998387
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide
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CID 103841879

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide (CID 81308376) is 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide is CC1(C)CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide?
The InChIKey is BYUZBRITNRHCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-15(2)7-5-11(6-8-15)18-14(19)10-3-4-12(16)13(17)9-10/h3-4,9,11H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide?
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide has a molecular weight of 344.68 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 81308376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).