N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide

C28H18F6N2O5 — CID 175011717

IUPACN-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1ccc(-c2ccc(F)c(F)c2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1
InChIInChI=1S/C28H18F6N2O5/c1-39-23-13-17(41-28(32,33)34)7-11-22(23)40-16-5-2-14(3-6-16)18-8-10-21(30)25(31)24(18)27(38)36-15-4-9-20(29)19(12-15)26(35)37/h2-13H,1H3,(H2,35,37)(H,36,38)
InChIKeyWQMMEFVZWZSQRG-UHFFFAOYSA-N
MW576.45 g/mol
LogP6.82
Rot. Bonds8

About N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide

N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide (PubChem CID 175011717) has the molecular formula C28H18F6N2O5 and a molecular weight of 576.45 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
PubChem CID175011717
Molecular FormulaC28H18F6N2O5
Molecular Weight576.45 g/mol
Exact Mass576.11
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1ccc(-c2ccc(F)c(F)c2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1
InChIInChI=1S/C28H18F6N2O5/c1-39-23-13-17(41-28(32,33)34)7-11-22(23)40-16-5-2-14(3-6-16)18-8-10-21(30)25(31)24(18)27(38)36-15-4-9-20(29)19(12-15)26(35)37/h2-13H,1H3,(H2,35,37)(H,36,38)
InChIKeyWQMMEFVZWZSQRG-UHFFFAOYSA-N
XLogP6.82
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.45
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 137406357
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
CID 158292118
N-(3-carbamoylphenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410906
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide
CID 148707251
N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide
CID 137418848
6-bromo-N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-methylbenzamide;bis(N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-methyl-6-[[6-(trifluoromethoxy)-3-pyridinyl]oxy]benzamide);6-(trifluoromethoxy)pyridin-3-ol
CID 160682986
4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 137418756

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide (CID 175011717) is N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide is COc1cc(OC(F)(F)F)ccc1Oc1ccc(-c2ccc(F)c(F)c2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide?
The InChIKey is WQMMEFVZWZSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F6N2O5/c1-39-23-13-17(41-28(32,33)34)7-11-22(23)40-16-5-2-14(3-6-16)18-8-10-21(30)25(31)24(18)27(38)36-15-4-9-20(29)19(12-15)26(35)37/h2-13H,1H3,(H2,35,37)(H,36,38).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide?
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide has a molecular weight of 576.45 g/mol, XLogP of 6.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide is sourced from PubChem (CID 175011717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).