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

C63H43BrF15N9O12 — CID 160682986

IUPAC6-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
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Cc1ccc(Oc2ccc(OC(F)(F)F)nc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Cc1ccc(Oc2ccc(OC(F)(F)F)nc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Oc1ccc(OC(F)(F)F)nc1
InChIInChI=1S/2C21H14F5N3O4.C15H11BrF2N2O2.C6H4F3NO2/c2*1-10-2-6-15(32-12-4-7-16(28-9-12)33-21(24,25)26)17(18(10)23)20(31)29-11-3-5-14(22)13(8-11)19(27)30;1-7-2-4-10(16)12(13(7)18)15(22)20-8-3-5-11(17)9(6-8)14(19)21;7-6(8,9)12-5-2-1-4(11)3-10-5/h2*2-9H,1H3,(H2,27,30)(H,29,31);2-6H,1H3,(H2,19,21)(H,20,22);1-3,11H
InChIKeyROJWYOBHPOWBLM-UHFFFAOYSA-N
MW1482.96 g/mol
LogP14.49
Rot. Bonds16

About 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

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 (PubChem CID 160682986) has the molecular formula C63H43BrF15N9O12 and a molecular weight of 1482.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID160682986
Molecular FormulaC63H43BrF15N9O12
Molecular Weight1482.96 g/mol
Exact Mass1481.20
IUPAC Name6-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
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Cc1ccc(Oc2ccc(OC(F)(F)F)nc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Cc1ccc(Oc2ccc(OC(F)(F)F)nc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Oc1ccc(OC(F)(F)F)nc1
InChIInChI=1S/2C21H14F5N3O4.C15H11BrF2N2O2.C6H4F3NO2/c2*1-10-2-6-15(32-12-4-7-16(28-9-12)33-21(24,25)26)17(18(10)23)20(31)29-11-3-5-14(22)13(8-11)19(27)30;1-7-2-4-10(16)12(13(7)18)15(22)20-8-3-5-11(17)9(6-8)14(19)21;7-6(8,9)12-5-2-1-4(11)3-10-5/h2*2-9H,1H3,(H2,27,30)(H,29,31);2-6H,1H3,(H2,19,21)(H,20,22);1-3,11H
InChIKeyROJWYOBHPOWBLM-UHFFFAOYSA-N
XLogP14.49
TPSA321.62 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001482.96
LogP ≤ 514.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 137406357
N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide
CID 137418848
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
CID 175011717
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
CID 142516919
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393844
N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
CID 158292118
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338
2-fluoro-3-methyl-N-(2-oxidopyridazin-2-ium-4-yl)-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 170241447

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Br)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Cc1ccc(Oc2ccc(OC(F)(F)F)nc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Cc1ccc(Oc2ccc(OC(F)(F)F)nc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1F.Oc1ccc(OC(F)(F)F)nc1.
What is the InChIKey of 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?
The InChIKey is ROJWYOBHPOWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14F5N3O4.C15H11BrF2N2O2.C6H4F3NO2/c2*1-10-2-6-15(32-12-4-7-16(28-9-12)33-21(24,25)26)17(18(10)23)20(31)29-11-3-5-14(22)13(8-11)19(27)30;1-7-2-4-10(16)12(13(7)18)15(22)20-8-3-5-11(17)9(6-8)14(19)21;7-6(8,9)12-5-2-1-4(11)3-10-5/h2*2-9H,1H3,(H2,27,30)(H,29,31);2-6H,1H3,(H2,19,21)(H,20,22);1-3,11H.
What are the key properties of 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?
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 has a molecular weight of 1482.96 g/mol, XLogP of 14.49, 16 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160682986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).