2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide

C14H16Cl2FNO — CID 114147976

IUPAC2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H16Cl2FNO/c15-10-6-4-9(5-7-10)8-18-14(19)13-11(16)2-1-3-12(13)17/h1-3,9-10H,4-8H2,(H,18,19)
InChIKeyGBNWCIRBKASDPK-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.01
Rot. Bonds3

About 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide

2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide (PubChem CID 114147976) has the molecular formula C14H16Cl2FNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
PubChem CID114147976
Molecular FormulaC14H16Cl2FNO
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H16Cl2FNO/c15-10-6-4-9(5-7-10)8-18-14(19)13-11(16)2-1-3-12(13)17/h1-3,9-10H,4-8H2,(H,18,19)
InChIKeyGBNWCIRBKASDPK-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.01
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-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
2-chloro-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-6-fluorobenzamide
CID 108922186
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745251
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide (CID 114147976) is 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide is O=C(NCC1CCC(Cl)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide?
The InChIKey is GBNWCIRBKASDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO/c15-10-6-4-9(5-7-10)8-18-14(19)13-11(16)2-1-3-12(13)17/h1-3,9-10H,4-8H2,(H,18,19).
What are the key properties of 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide?
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide has a molecular weight of 304.19 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 114147976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).