3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide

C17H23BrClNO — CID 107999351

IUPAC3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H23BrClNO/c1-17(2,3)12-6-4-5-7-15(12)20-16(21)11-8-9-14(19)13(18)10-11/h8-10,12,15H,4-7H2,1-3H3,(H,20,21)
InChIKeyJZAXCTLQEMQDBR-UHFFFAOYSA-N
MW372.73 g/mol
LogP5.44
Rot. Bonds2

About 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide

3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide (PubChem CID 107999351) has the molecular formula C17H23BrClNO and a molecular weight of 372.73 g/mol. Its IUPAC name is 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
PubChem CID107999351
Molecular FormulaC17H23BrClNO
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC Name3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H23BrClNO/c1-17(2,3)12-6-4-5-7-15(12)20-16(21)11-8-9-14(19)13(18)10-11/h8-10,12,15H,4-7H2,1-3H3,(H,20,21)
InChIKeyJZAXCTLQEMQDBR-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-4-chloro-N-cycloheptylbenzamide
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N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
3-bromo-4-chloro-N-(thian-4-yl)benzamide
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3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
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CID 81295465
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
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CID 39634709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide (CID 107999351) is 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide is CC(C)(C)C1CCCCC1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide?
The InChIKey is JZAXCTLQEMQDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrClNO/c1-17(2,3)12-6-4-5-7-15(12)20-16(21)11-8-9-14(19)13(18)10-11/h8-10,12,15H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide?
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide has a molecular weight of 372.73 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide is sourced from PubChem (CID 107999351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).