4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide

C31H26F4N2O5 — CID 163361307

IUPAC4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(COc2cc(F)ccc2Oc2cc(C3CC3)c(C(F)(F)F)cc2C(=O)Nc2ccnc(OC)c2)cc1
InChIInChI=1S/C31H26F4N2O5/c1-39-22-8-3-18(4-9-22)17-41-28-13-20(32)7-10-26(28)42-27-16-23(19-5-6-19)25(31(33,34)35)15-24(27)30(38)37-21-11-12-36-29(14-21)40-2/h3-4,7-16,19H,5-6,17H2,1-2H3,(H,36,37,38)
InChIKeyGGSBHOGVXOOQOY-UHFFFAOYSA-N
MW582.55 g/mol
LogP7.76
Rot. Bonds10

About 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide

4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 163361307) has the molecular formula C31H26F4N2O5 and a molecular weight of 582.55 g/mol. Its IUPAC name is 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID163361307
Molecular FormulaC31H26F4N2O5
Molecular Weight582.55 g/mol
Exact Mass582.18
IUPAC Name4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(COc2cc(F)ccc2Oc2cc(C3CC3)c(C(F)(F)F)cc2C(=O)Nc2ccnc(OC)c2)cc1
InChIInChI=1S/C31H26F4N2O5/c1-39-22-8-3-18(4-9-22)17-41-28-13-20(32)7-10-26(28)42-27-16-23(19-5-6-19)25(31(33,34)35)15-24(27)30(38)37-21-11-12-36-29(14-21)40-2/h3-4,7-16,19H,5-6,17H2,1-2H3,(H,36,37,38)
InChIKeyGGSBHOGVXOOQOY-UHFFFAOYSA-N
XLogP7.76
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.55
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 163361470
ethyl 2-[2-[5-cyclopropyl-2-[(2-methoxy-4-pyridinyl)carbamoyl]-4-[4-(trifluoromethyl)phenyl]phenoxy]-5-fluorophenoxy]acetate
CID 175593059
4-cyclopropyl-N-[4-(1-fluoro-2-hydroxyethoxy)phenyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 169079462
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide
CID 163361435
N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 159986391
2-[4-fluoro-2-[2-(methanesulfonamido)ethoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 163361501
5-chloro-2-(2-cyclopentyloxy-4-fluorophenoxy)-N-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175102230
4-cyclopropyl-N-[6-(2,3-dihydroxypropoxy)pyridazin-4-yl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 170204175
4-cyclopropyl-N-[6-[(2R)-2,3-dihydroxypropoxy]pyridazin-4-yl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 170243981
4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-N-pyridin-4-ylbenzamide
CID 137408801
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
methyl 5-[[5-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-fluorobenzoate
CID 163361451

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide (CID 163361307) is 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide is COc1ccc(COc2cc(F)ccc2Oc2cc(C3CC3)c(C(F)(F)F)cc2C(=O)Nc2ccnc(OC)c2)cc1.
What is the InChIKey of 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is GGSBHOGVXOOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F4N2O5/c1-39-22-8-3-18(4-9-22)17-41-28-13-20(32)7-10-26(28)42-27-16-23(19-5-6-19)25(31(33,34)35)15-24(27)30(38)37-21-11-12-36-29(14-21)40-2/h3-4,7-16,19H,5-6,17H2,1-2H3,(H,36,37,38).
What are the key properties of 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 582.55 g/mol, XLogP of 7.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 163361307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).