3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide

C15H19BrClNO — CID 114094949

IUPAC3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Cl)c(Br)c2)CCCCC1
InChIInChI=1S/C15H19BrClNO/c1-15(7-3-2-4-8-15)10-18-14(19)11-5-6-13(17)12(16)9-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyKNWGUJXDGSAYCK-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.80
Rot. Bonds3

About 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide

3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide (PubChem CID 114094949) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
PubChem CID114094949
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Cl)c(Br)c2)CCCCC1
InChIInChI=1S/C15H19BrClNO/c1-15(7-3-2-4-8-15)10-18-14(19)11-5-6-13(17)12(16)9-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyKNWGUJXDGSAYCK-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720
4-chloro-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
CID 103738127
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
3-bromo-N-(1-carbamothioylcycloheptyl)-4-chlorobenzamide
CID 107999041
3-bromo-N-(1-carbamothioylcyclohexyl)-4-chlorobenzamide
CID 107999039
3-chloro-N-[(1-methylcyclobutyl)methyl]-4-nitrobenzamide
CID 103873304
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide (CID 114094949) is 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide is CC1(CNC(=O)c2ccc(Cl)c(Br)c2)CCCCC1.
What is the InChIKey of 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide?
The InChIKey is KNWGUJXDGSAYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-15(7-3-2-4-8-15)10-18-14(19)11-5-6-13(17)12(16)9-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide?
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide has a molecular weight of 344.68 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 114094949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).