2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide

C14H16BrClFNO — CID 106366697

IUPAC2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(F)ccc1Br
InChIInChI=1S/C14H16BrClFNO/c15-12-6-5-10(17)7-11(12)14(19)18-13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8H2,(H,18,19)
InChIKeyIAIJDDCEKKCUHY-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.12
Rot. Bonds3

About 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide

2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide (PubChem CID 106366697) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
PubChem CID106366697
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC Name2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(F)ccc1Br
InChIInChI=1S/C14H16BrClFNO/c15-12-6-5-10(17)7-11(12)14(19)18-13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8H2,(H,18,19)
InChIKeyIAIJDDCEKKCUHY-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

2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
2-bromo-N-[2-(chloromethyl)cyclopentyl]-5-iodobenzamide
CID 106366054
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
CID 43593743
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
CID 106366629
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide (CID 106366697) is 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide is O=C(NC1CCCCC1CCl)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide?
The InChIKey is IAIJDDCEKKCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-12-6-5-10(17)7-11(12)14(19)18-13-4-2-1-3-9(13)8-16/h5-7,9,13H,1-4,8H2,(H,18,19).
What are the key properties of 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide?
2-bromo-N-[2-(chloromethyl)cyclohexyl]-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 2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide is sourced from PubChem (CID 106366697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).