N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide

C14H16BrClFNO — CID 106367232

IUPACN-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
SMILESO=C(NC1CCCCC1CBr)c1cccc(Cl)c1F
InChIInChI=1S/C14H16BrClFNO/c15-8-9-4-1-2-7-12(9)18-14(19)10-5-3-6-11(16)13(10)17/h3,5-6,9,12H,1-2,4,7-8H2,(H,18,19)
InChIKeyWMYUVEJZQMDMRN-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.16
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide

N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide (PubChem CID 106367232) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
PubChem CID106367232
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
SMILESO=C(NC1CCCCC1CBr)c1cccc(Cl)c1F
InChIInChI=1S/C14H16BrClFNO/c15-8-9-4-1-2-7-12(9)18-14(19)10-5-3-6-11(16)13(10)17/h3,5-6,9,12H,1-2,4,7-8H2,(H,18,19)
InChIKeyWMYUVEJZQMDMRN-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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

N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
CID 114179501
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-[2-(bromomethyl)cyclohexyl]-2-chloro-6-nitrobenzamide
CID 106367266
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide (CID 106367232) is N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide is O=C(NC1CCCCC1CBr)c1cccc(Cl)c1F.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide?
The InChIKey is WMYUVEJZQMDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-8-9-4-1-2-7-12(9)18-14(19)10-5-3-6-11(16)13(10)17/h3,5-6,9,12H,1-2,4,7-8H2,(H,18,19).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide?
N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide has a molecular weight of 348.64 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 106367232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).