2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide

C26H18Cl2N4O5 — CID 140992627

IUPAC2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
SMILESNC(=O)N(C(=O)c1ccc2cc(O)c(C(=O)N(C(N)=O)c3ccc(Cl)cc3)cc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H18Cl2N4O5/c27-17-3-7-19(8-4-17)31(25(29)36)23(34)15-2-1-14-13-22(33)21(12-16(14)11-15)24(35)32(26(30)37)20-9-5-18(28)6-10-20/h1-13,33H,(H2,29,36)(H2,30,37)
InChIKeyKFIYZUMOHVCHLW-UHFFFAOYSA-N
MW537.36 g/mol
LogP5.30
Rot. Bonds4

About 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide

2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide (PubChem CID 140992627) has the molecular formula C26H18Cl2N4O5 and a molecular weight of 537.36 g/mol. Its IUPAC name is 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
PubChem CID140992627
Molecular FormulaC26H18Cl2N4O5
Molecular Weight537.36 g/mol
Exact Mass536.07
IUPAC Name2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
SMILESNC(=O)N(C(=O)c1ccc2cc(O)c(C(=O)N(C(N)=O)c3ccc(Cl)cc3)cc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H18Cl2N4O5/c27-17-3-7-19(8-4-17)31(25(29)36)23(34)15-2-1-14-13-22(33)21(12-16(14)11-15)24(35)32(26(30)37)20-9-5-18(28)6-10-20/h1-13,33H,(H2,29,36)(H2,30,37)
InChIKeyKFIYZUMOHVCHLW-UHFFFAOYSA-N
XLogP5.30
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.36
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
The IUPAC name of 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide (CID 140992627) is 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
The canonical SMILES for 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide is NC(=O)N(C(=O)c1ccc2cc(O)c(C(=O)N(C(N)=O)c3ccc(Cl)cc3)cc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
The InChIKey is KFIYZUMOHVCHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N4O5/c27-17-3-7-19(8-4-17)31(25(29)36)23(34)15-2-1-14-13-22(33)21(12-16(14)11-15)24(35)32(26(30)37)20-9-5-18(28)6-10-20/h1-13,33H,(H2,29,36)(H2,30,37).
What are the key properties of 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide has a molecular weight of 537.36 g/mol, XLogP of 5.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 140992627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).