3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide

C14H16BrClFNO — CID 106133673

IUPAC3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H16BrClFNO/c15-11-5-10(6-13(17)7-11)14(19)18-8-9-1-3-12(16)4-2-9/h5-7,9,12H,1-4,8H2,(H,18,19)
InChIKeyNSKFXLJPZSBMDB-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide

3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide (PubChem CID 106133673) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide
PubChem CID106133673
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC Name3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H16BrClFNO/c15-11-5-10(6-13(17)7-11)14(19)18-8-9-1-3-12(16)4-2-9/h5-7,9,12H,1-4,8H2,(H,18,19)
InChIKeyNSKFXLJPZSBMDB-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.12
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

3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
3-bromo-N-[3-(cyclopropylamino)propyl]-5-fluorobenzamide
CID 43596337
N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
CID 165436081
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548275
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
CID 110625264

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide (CID 106133673) is 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide is O=C(NCC1CCC(Cl)CC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide?
The InChIKey is NSKFXLJPZSBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-11-5-10(6-13(17)7-11)14(19)18-8-9-1-3-12(16)4-2-9/h5-7,9,12H,1-4,8H2,(H,18,19).
What are the key properties of 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide?
3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide has a molecular weight of 348.64 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide is sourced from PubChem (CID 106133673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).