1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide

C21H21ClF3N3O4 — CID 162446380

IUPAC1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1(C(=O)Nc2ccc(OC(F)F)nc2)CCCCC1
InChIInChI=1S/C21H21ClF3N3O4/c22-15-6-5-14(10-16(15)23)31-12-17(29)28-21(8-2-1-3-9-21)19(30)27-13-4-7-18(26-11-13)32-20(24)25/h4-7,10-11,20H,1-3,8-9,12H2,(H,27,30)(H,28,29)
InChIKeySJLLNFBEEDTRJF-UHFFFAOYSA-N
MW471.86 g/mol
LogP4.31
Rot. Bonds8

About 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide

1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 162446380) has the molecular formula C21H21ClF3N3O4 and a molecular weight of 471.86 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID162446380
Molecular FormulaC21H21ClF3N3O4
Molecular Weight471.86 g/mol
Exact Mass471.12
IUPAC Name1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1(C(=O)Nc2ccc(OC(F)F)nc2)CCCCC1
InChIInChI=1S/C21H21ClF3N3O4/c22-15-6-5-14(10-16(15)23)31-12-17(29)28-21(8-2-1-3-9-21)19(30)27-13-4-7-18(26-11-13)32-20(24)25/h4-7,10-11,20H,1-3,8-9,12H2,(H,27,30)(H,28,29)
InChIKeySJLLNFBEEDTRJF-UHFFFAOYSA-N
XLogP4.31
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
CID 142586159
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.2]octane-1-carboxamide
CID 142586045
2-(4-chloro-3-fluorophenoxy)-N-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-3-pyridinyl]hept-6-enamide
CID 170084279
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3,6-dihydroxy-2-bicyclo[3.1.1]hept-1-enyl]acetamide
CID 155302975
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(cyclohexen-1-yl)-1,3-oxazole-5-carboxamide
CID 158229030
2-(4-chloro-3-fluorophenoxy)-N-[2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
CID 155092923

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide (CID 162446380) is 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NC1(C(=O)Nc2ccc(OC(F)F)nc2)CCCCC1.
What is the InChIKey of 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is SJLLNFBEEDTRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O4/c22-15-6-5-14(10-16(15)23)31-12-17(29)28-21(8-2-1-3-9-21)19(30)27-13-4-7-18(26-11-13)32-20(24)25/h4-7,10-11,20H,1-3,8-9,12H2,(H,27,30)(H,28,29).
What are the key properties of 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 471.86 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(difluoromethoxy)-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 162446380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).