N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide

C21H19FN2O4 — CID 102340688

IUPACN-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3ccncc3)cc2F)cc1OC
InChIInChI=1S/C21H19FN2O4/c1-26-18-12-20(28-3)19(27-2)11-15(18)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)
InChIKeyHZAQMWWEOYQOMR-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.17
Rot. Bonds6

About N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide

N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 102340688) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID102340688
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(-c3ccncc3)cc2F)cc1OC
InChIInChI=1S/C21H19FN2O4/c1-26-18-12-20(28-3)19(27-2)11-15(18)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)
InChIKeyHZAQMWWEOYQOMR-UHFFFAOYSA-N
XLogP4.17
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645112
4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
2,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 837993
2,4,5-Trimethoxy-N-pyridin-4-yl-benzamide
CID 912735
3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 3767848
Synta66
CID 11337104
3-(Pyridin-3-yl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 44591967
4-[[6-[2-Methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645097
4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645315
4-[[2-Fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645517
4-[[6-[3-Fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 162661705

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide (CID 102340688) is N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(-c3ccncc3)cc2F)cc1OC.
What is the InChIKey of N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is HZAQMWWEOYQOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-26-18-12-20(28-3)19(27-2)11-15(18)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25).
What are the key properties of N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide?
N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 382.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-pyridin-4-ylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 102340688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).