1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide

C14H17F3N2O — CID 154764359

IUPAC1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccncc2F)CCC(F)(F)CC1
InChIInChI=1S/C14H17F3N2O/c1-2-13(4-6-14(16,17)7-5-13)12(20)19-11-3-8-18-9-10(11)15/h3,8-9H,2,4-7H2,1H3,(H,18,19,20)
InChIKeyKRXXJQMQSMDUDA-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.76
Rot. Bonds3

About 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide

1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 154764359) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide
PubChem CID154764359
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccncc2F)CCC(F)(F)CC1
InChIInChI=1S/C14H17F3N2O/c1-2-13(4-6-14(16,17)7-5-13)12(20)19-11-3-8-18-9-10(11)15/h3,8-9H,2,4-7H2,1H3,(H,18,19,20)
InChIKeyKRXXJQMQSMDUDA-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
CID 75506441
1-(4-chlorophenyl)-N-(3-fluoro-4-pyridinyl)cyclopropane-1-carboxamide
CID 167778730
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990
1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
CID 103886199
3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
CID 107595018
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
ethyl 2-[(3-fluoro-4-pyridinyl)amino]-2-oxoacetate
CID 107595257
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107595584
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide (CID 154764359) is 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide is CCC1(C(=O)Nc2ccncc2F)CCC(F)(F)CC1.
What is the InChIKey of 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is KRXXJQMQSMDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-13(4-6-14(16,17)7-5-13)12(20)19-11-3-8-18-9-10(11)15/h3,8-9H,2,4-7H2,1H3,(H,18,19,20).
What are the key properties of 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide?
1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-N-(3-fluoro-4-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 154764359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).