3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide

C14H16Br2ClNO — CID 106133086

IUPAC3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
SMILESO=C(NCC1CCCC(Br)C1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H16Br2ClNO/c15-11-3-1-2-9(4-11)8-18-14(19)10-5-12(16)7-13(17)6-10/h5-7,9,11H,1-4,8H2,(H,18,19)
InChIKeyGFXGTEDEQCYESK-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.79
Rot. Bonds3

About 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide

3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide (PubChem CID 106133086) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
PubChem CID106133086
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
SMILESO=C(NCC1CCCC(Br)C1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H16Br2ClNO/c15-11-3-1-2-9(4-11)8-18-14(19)10-5-12(16)7-13(17)6-10/h5-7,9,11H,1-4,8H2,(H,18,19)
InChIKeyGFXGTEDEQCYESK-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.79
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-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107939665
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
3-bromo-5-chloro-N-(thian-2-ylmethyl)benzamide
CID 114020072
3-bromo-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 103827085
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
CID 106132945
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide (CID 106133086) is 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide is O=C(NCC1CCCC(Br)C1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide?
The InChIKey is GFXGTEDEQCYESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-11-3-1-2-9(4-11)8-18-14(19)10-5-12(16)7-13(17)6-10/h5-7,9,11H,1-4,8H2,(H,18,19).
What are the key properties of 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide?
3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide has a molecular weight of 409.55 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide is sourced from PubChem (CID 106133086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).