N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide

C14H18ClFN2O — CID 104643153

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
SMILESCC1CCC(CCl)(NC(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H18ClFN2O/c1-10-4-6-14(9-15,7-5-10)18-13(19)12-3-2-11(16)8-17-12/h2-3,8,10H,4-7,9H2,1H3,(H,18,19)
InChIKeyZDVTYMHHQRDEJQ-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide

N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide (PubChem CID 104643153) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
PubChem CID104643153
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
SMILESCC1CCC(CCl)(NC(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H18ClFN2O/c1-10-4-6-14(9-15,7-5-10)18-13(19)12-3-2-11(16)8-17-12/h2-3,8,10H,4-7,9H2,1H3,(H,18,19)
InChIKeyZDVTYMHHQRDEJQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4-difluorobenzamide
CID 114304359
N-[1-(chloromethyl)-4-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 114304180
N-[1-(chloromethyl)-4-methylcyclohexyl]thiadiazole-5-carboxamide
CID 114304344
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
3-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-4-fluorobenzamide
CID 82879015
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4,6-trimethylbenzamide
CID 114304211
2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
CID 106503135
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-nitrobenzamide
CID 114304298
N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
CID 104638557
N-[1-(chloromethyl)-3-methylcyclohexyl]-5-fluoropyridin-2-amine
CID 65028300
3-ethoxy-1-[(5-fluoropyridine-2-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699717

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide (CID 104643153) is N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide is CC1CCC(CCl)(NC(=O)c2ccc(F)cn2)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is ZDVTYMHHQRDEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-10-4-6-14(9-15,7-5-10)18-13(19)12-3-2-11(16)8-17-12/h2-3,8,10H,4-7,9H2,1H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104643153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).