4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide

C16H21BrClNO — CID 81308175

IUPAC4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-2-3-11-4-7-13(8-5-11)19-16(20)12-6-9-14(17)15(18)10-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyRUTFMMBMWKISBH-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.19
Rot. Bonds4

About 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide

4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide (PubChem CID 81308175) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
PubChem CID81308175
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-2-3-11-4-7-13(8-5-11)19-16(20)12-6-9-14(17)15(18)10-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyRUTFMMBMWKISBH-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.71
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide (CID 81308175) is 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide is CCCC1CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide?
The InChIKey is RUTFMMBMWKISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-2-3-11-4-7-13(8-5-11)19-16(20)12-6-9-14(17)15(18)10-12/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,20).
What are the key properties of 4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide?
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide has a molecular weight of 358.71 g/mol, XLogP of 5.19, 4 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-propylcyclohexyl)benzamide is sourced from PubChem (CID 81308175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).