4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

C19H19F3N2O — CID 122156566

IUPAC4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCC(F)(F)CC1)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H19F3N2O/c20-15-4-6-17(7-5-15)24(13-16-3-1-2-12-23-16)18(25)14-8-10-19(21,22)11-9-14/h1-7,12,14H,8-11,13H2
InChIKeySRVSCJKXNMCIQJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.58
Rot. Bonds4

About 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 122156566) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID122156566
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCC(F)(F)CC1)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H19F3N2O/c20-15-4-6-17(7-5-15)24(13-16-3-1-2-12-23-16)18(25)14-8-10-19(21,22)11-9-14/h1-7,12,14H,8-11,13H2
InChIKeySRVSCJKXNMCIQJ-UHFFFAOYSA-N
XLogP4.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96543729
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 55889351
N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 51121562
(2S)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 94628131
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55889863
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888582
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 43987334
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 47063538
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (CID 122156566) is 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is O=C(C1CCC(F)(F)CC1)N(Cc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is SRVSCJKXNMCIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-15-4-6-17(7-5-15)24(13-16-3-1-2-12-23-16)18(25)14-8-10-19(21,22)11-9-14/h1-7,12,14H,8-11,13H2.
What are the key properties of 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122156566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).