1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide

C20H12Cl4N2O2 — CID 2168421

IUPAC1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H12Cl4N2O2/c21-13-5-14(22)8-17(7-13)25-19(27)11-2-1-3-12(4-11)20(28)26-18-9-15(23)6-16(24)10-18/h1-10H,(H,25,27)(H,26,28)
InChIKeyUPBFUDCJFNEIGP-UHFFFAOYSA-N
MW454.14 g/mol
LogP6.80
Rot. Bonds4

About 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 2168421) has the molecular formula C20H12Cl4N2O2 and a molecular weight of 454.14 g/mol. Its IUPAC name is 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide
PubChem CID2168421
Molecular FormulaC20H12Cl4N2O2
Molecular Weight454.14 g/mol
Exact Mass451.97
IUPAC Name1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H12Cl4N2O2/c21-13-5-14(22)8-17(7-13)25-19(27)11-2-1-3-12(4-11)20(28)26-18-9-15(23)6-16(24)10-18/h1-10H,(H,25,27)(H,26,28)
InChIKeyUPBFUDCJFNEIGP-UHFFFAOYSA-N
XLogP6.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.14
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide (CID 2168421) is 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is UPBFUDCJFNEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl4N2O2/c21-13-5-14(22)8-17(7-13)25-19(27)11-2-1-3-12(4-11)20(28)26-18-9-15(23)6-16(24)10-18/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 454.14 g/mol, XLogP of 6.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3,5-dichlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 2168421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).