5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide

C15H19BrClNO — CID 63998181

IUPAC5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(Br)ccc2Cl)C(C)C1
InChIInChI=1S/C15H19BrClNO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyUUPIPTABJTYDOA-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.66
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide

5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide (PubChem CID 63998181) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
PubChem CID63998181
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(Br)ccc2Cl)C(C)C1
InChIInChI=1S/C15H19BrClNO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyUUPIPTABJTYDOA-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
CID 106686861
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
N-(2,4-dimethylcyclohexyl)-2-methyl-5-sulfanylbenzamide
CID 107030364
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
6-amino-5-chloro-N-(2,4-dimethylcyclohexyl)pyridine-3-carboxamide
CID 63999211
1-[(5-bromo-2-chlorobenzoyl)amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide (CID 63998181) is 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide is CC1CCC(NC(=O)c2cc(Br)ccc2Cl)C(C)C1.
What is the InChIKey of 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide?
The InChIKey is UUPIPTABJTYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide?
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide has a molecular weight of 344.68 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 63998181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).