1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide

C23H18F4N2O5 — CID 141157110

IUPAC1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1cc(F)c(NC(=O)c2ccc(OC)c(C(=O)Nc3c(F)cc(OC)cc3F)c2)c(F)c1
InChIInChI=1S/C23H18F4N2O5/c1-32-12-7-15(24)20(16(25)8-12)28-22(30)11-4-5-19(34-3)14(6-11)23(31)29-21-17(26)9-13(33-2)10-18(21)27/h4-10H,1-3H3,(H,28,30)(H,29,31)
InChIKeyKCNMNOANBRCBPN-UHFFFAOYSA-N
MW478.40 g/mol
LogP4.77
Rot. Bonds7

About 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141157110) has the molecular formula C23H18F4N2O5 and a molecular weight of 478.40 g/mol. Its IUPAC name is 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141157110
Molecular FormulaC23H18F4N2O5
Molecular Weight478.40 g/mol
Exact Mass478.12
IUPAC Name1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1cc(F)c(NC(=O)c2ccc(OC)c(C(=O)Nc3c(F)cc(OC)cc3F)c2)c(F)c1
InChIInChI=1S/C23H18F4N2O5/c1-32-12-7-15(24)20(16(25)8-12)28-22(30)11-4-5-19(34-3)14(6-11)23(31)29-21-17(26)9-13(33-2)10-18(21)27/h4-10H,1-3H3,(H,28,30)(H,29,31)
InChIKeyKCNMNOANBRCBPN-UHFFFAOYSA-N
XLogP4.77
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-bis(2-chloro-6-fluoro-4-hydroxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157432
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
1-N,3-N-bis(2-chloro-6-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157200
1-N,3-N-bis(4-bromo-2-fluoro-6-propoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157150
1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157229
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
1-N,3-N-bis(3-fluoro-2-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157429
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157147
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157179

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141157110) is 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1cc(F)c(NC(=O)c2ccc(OC)c(C(=O)Nc3c(F)cc(OC)cc3F)c2)c(F)c1.
What is the InChIKey of 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is KCNMNOANBRCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O5/c1-32-12-7-15(24)20(16(25)8-12)28-22(30)11-4-5-19(34-3)14(6-11)23(31)29-21-17(26)9-13(33-2)10-18(21)27/h4-10H,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 478.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141157110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).