N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide

C44H34Cl2F4N4O8 — CID 144580129

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1F.COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)c(F)c1
InChIInChI=1S/2C22H17ClF2N2O4/c1-30-13-4-5-14(17(25)10-13)22(29)26-11-19(28)18-7-8-20(31-2)21(27-18)12-3-6-16(24)15(23)9-12;1-30-19-8-7-17(27-21(19)12-3-5-15(24)14(23)9-12)18(28)11-26-22(29)13-4-6-16(25)20(10-13)31-2/h2*3-10H,11H2,1-2H3,(H,26,29)
InChIKeyJJGKPCFZJUYSDG-UHFFFAOYSA-N
MW893.67 g/mol
LogP8.62
Rot. Bonds14

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide (PubChem CID 144580129) has the molecular formula C44H34Cl2F4N4O8 and a molecular weight of 893.67 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide
PubChem CID144580129
Molecular FormulaC44H34Cl2F4N4O8
Molecular Weight893.67 g/mol
Exact Mass892.17
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1F.COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)c(F)c1
InChIInChI=1S/2C22H17ClF2N2O4/c1-30-13-4-5-14(17(25)10-13)22(29)26-11-19(28)18-7-8-20(31-2)21(27-18)12-3-6-16(24)15(23)9-12;1-30-19-8-7-17(27-21(19)12-3-5-15(24)14(23)9-12)18(28)11-26-22(29)13-4-6-16(25)20(10-13)31-2/h2*3-10H,11H2,1-2H3,(H,26,29)
InChIKeyJJGKPCFZJUYSDG-UHFFFAOYSA-N
XLogP8.62
TPSA155.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.67
LogP ≤ 58.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide with MolForge

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Related Compounds

(3S)-3-[[6-(5-chloro-2-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 60141791
(3S)-3-[[6-(3-chloro-2-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 68294585
US11059858, Example 8
CID 137364952
(3S)-3-[[6-(3-chloro-4-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 92044171
3-[[6-(3-Chloro-2-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 68294587
3-[[6-(5-Chloro-2-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 68295569
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide
CID 73331542
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide
CID 73331543
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxypyridin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 73331682
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide
CID 73331683
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide
CID 73331686
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide
CID 73331687

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide (CID 144580129) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1F.COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)c(F)c1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is JJGKPCFZJUYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17ClF2N2O4/c1-30-13-4-5-14(17(25)10-13)22(29)26-11-19(28)18-7-8-20(31-2)21(27-18)12-3-6-16(24)15(23)9-12;1-30-19-8-7-17(27-21(19)12-3-5-15(24)14(23)9-12)18(28)11-26-22(29)13-4-6-16(25)20(10-13)31-2/h2*3-10H,11H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 893.67 g/mol, XLogP of 8.62, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-fluoro-4-methoxybenzamide;N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 144580129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).