4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide

C15H18Cl2FNO — CID 114306984

IUPAC4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
SMILESO=C(NCC1CCCCC1CCl)c1ccc(Cl)cc1F
InChIInChI=1S/C15H18Cl2FNO/c16-8-10-3-1-2-4-11(10)9-19-15(20)13-6-5-12(17)7-14(13)18/h5-7,10-11H,1-4,8-9H2,(H,19,20)
InChIKeyBNPHHVCCNGXRNM-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.25
Rot. Bonds4

About 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide

4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide (PubChem CID 114306984) has the molecular formula C15H18Cl2FNO and a molecular weight of 318.22 g/mol. Its IUPAC name is 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
PubChem CID114306984
Molecular FormulaC15H18Cl2FNO
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
SMILESO=C(NCC1CCCCC1CCl)c1ccc(Cl)cc1F
InChIInChI=1S/C15H18Cl2FNO/c16-8-10-3-1-2-4-11(10)9-19-15(20)13-6-5-12(17)7-14(13)18/h5-7,10-11H,1-4,8-9H2,(H,19,20)
InChIKeyBNPHHVCCNGXRNM-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.25
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

4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide (CID 114306984) is 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide is O=C(NCC1CCCCC1CCl)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide?
The InChIKey is BNPHHVCCNGXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FNO/c16-8-10-3-1-2-4-11(10)9-19-15(20)13-6-5-12(17)7-14(13)18/h5-7,10-11H,1-4,8-9H2,(H,19,20).
What are the key properties of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide?
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide has a molecular weight of 318.22 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 114306984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).