N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide

C14H16BrF2NO — CID 106133221

IUPACN-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
SMILESO=C(NCC1CCCC(Br)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16BrF2NO/c15-11-3-1-2-9(6-11)8-18-14(19)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,1-3,6,8H2,(H,18,19)
InChIKeyWFIMLMNYRGIKSP-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.65
Rot. Bonds3

About N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide

N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide (PubChem CID 106133221) has the molecular formula C14H16BrF2NO and a molecular weight of 332.19 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
PubChem CID106133221
Molecular FormulaC14H16BrF2NO
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC NameN-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
SMILESO=C(NCC1CCCC(Br)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16BrF2NO/c15-11-3-1-2-9(6-11)8-18-14(19)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,1-3,6,8H2,(H,18,19)
InChIKeyWFIMLMNYRGIKSP-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
CID 106133086
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060
N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide
CID 136583342
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide (CID 106133221) is N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide is O=C(NCC1CCCC(Br)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide?
The InChIKey is WFIMLMNYRGIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO/c15-11-3-1-2-9(6-11)8-18-14(19)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,1-3,6,8H2,(H,18,19).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide?
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide has a molecular weight of 332.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 106133221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).