N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide

C14H15ClF3NO — CID 106366629

IUPACN-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H15ClF3NO/c15-7-8-3-1-2-4-12(8)19-14(20)13-10(17)5-9(16)6-11(13)18/h5-6,8,12H,1-4,7H2,(H,19,20)
InChIKeyGEGKHJFUUWBSNP-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.63
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide

N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide (PubChem CID 106366629) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
PubChem CID106366629
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
SMILESO=C(NC1CCCCC1CCl)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H15ClF3NO/c15-7-8-3-1-2-4-12(8)19-14(20)13-10(17)5-9(16)6-11(13)18/h5-6,8,12H,1-4,7H2,(H,19,20)
InChIKeyGEGKHJFUUWBSNP-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.63
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-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
N-[2-(chloromethyl)cyclopentyl]-2,5-difluoro-3-nitrobenzamide
CID 106366051
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide (CID 106366629) is N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide is O=C(NC1CCCCC1CCl)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide?
The InChIKey is GEGKHJFUUWBSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO/c15-7-8-3-1-2-4-12(8)19-14(20)13-10(17)5-9(16)6-11(13)18/h5-6,8,12H,1-4,7H2,(H,19,20).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide?
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide has a molecular weight of 305.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 106366629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).