4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide

C23H17ClF4N2O3 — CID 166175739

IUPAC4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl
InChIInChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)
InChIKeyNFAGOVIQVGGRKR-UHFFFAOYSA-N
MW480.85 g/mol
LogP5.71
Rot. Bonds7

About 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide

4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 166175739) has the molecular formula C23H17ClF4N2O3 and a molecular weight of 480.85 g/mol. Its IUPAC name is 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID166175739
Molecular FormulaC23H17ClF4N2O3
Molecular Weight480.85 g/mol
Exact Mass480.09
IUPAC Name4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl
InChIInChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)
InChIKeyNFAGOVIQVGGRKR-UHFFFAOYSA-N
XLogP5.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.85
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide (CID 166175739) is 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is NFAGOVIQVGGRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 480.85 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 166175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).