3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide

C14H17BrClNO — CID 107999496

IUPAC3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2ccc(Cl)c(Br)c2)CCCCC1
InChIInChI=1S/C14H17BrClNO/c1-14(7-3-2-4-8-14)17-13(18)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyRPYSNMGYBGIPQA-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.56
Rot. Bonds2

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

3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide (PubChem CID 107999496) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
PubChem CID107999496
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2ccc(Cl)c(Br)c2)CCCCC1
InChIInChI=1S/C14H17BrClNO/c1-14(7-3-2-4-8-14)17-13(18)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyRPYSNMGYBGIPQA-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
3-bromo-N-(1-carbamothioylcycloheptyl)-4-chlorobenzamide
CID 107999041
3-bromo-N-(1-carbamothioylcyclohexyl)-4-chlorobenzamide
CID 107999039
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
(E)-3-[2-chloro-4-[(1-methylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81295028
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide (CID 107999496) is 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide is CC1(NC(=O)c2ccc(Cl)c(Br)c2)CCCCC1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide?
The InChIKey is RPYSNMGYBGIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-14(7-3-2-4-8-14)17-13(18)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide?
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide has a molecular weight of 330.65 g/mol, XLogP of 4.56, 2 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)benzamide is sourced from PubChem (CID 107999496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).