5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid

C14H9ClN2O6 — CID 150458904

IUPAC5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid
SMILESNC(=O)c1cc(Cl)c(C(N)=O)c2c(C(=O)O)ccc(C(=O)O)c12
InChIInChI=1S/C14H9ClN2O6/c15-7-3-6(11(16)18)8-4(13(20)21)1-2-5(14(22)23)9(8)10(7)12(17)19/h1-3H,(H2,16,18)(H2,17,19)(H,20,21)(H,22,23)
InChIKeyHPJIBXDEKPLINE-UHFFFAOYSA-N
MW336.69 g/mol
LogP1.09
Rot. Bonds4

About 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid

5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid (PubChem CID 150458904) has the molecular formula C14H9ClN2O6 and a molecular weight of 336.69 g/mol. Its IUPAC name is 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid
PubChem CID150458904
Molecular FormulaC14H9ClN2O6
Molecular Weight336.69 g/mol
Exact Mass336.01
IUPAC Name5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid
SMILESNC(=O)c1cc(Cl)c(C(N)=O)c2c(C(=O)O)ccc(C(=O)O)c12
InChIInChI=1S/C14H9ClN2O6/c15-7-3-6(11(16)18)8-4(13(20)21)1-2-5(14(22)23)9(8)10(7)12(17)19/h1-3H,(H2,16,18)(H2,17,19)(H,20,21)(H,22,23)
InChIKeyHPJIBXDEKPLINE-UHFFFAOYSA-N
XLogP1.09
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57087443
CID 175992554
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CID 53228066
7,8-dibromo-9,10-dicarbamoylperylene-3,4-dicarboxylic acid
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benzene-1,2,3,4-tetracarboxamide
CID 54274025
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
9,10-dicarbamoylperylene-3,4-dicarboxylic acid;1,3-xylene
CID 175255963
4-amino-2,3-dicarbamoylbenzoic acid
CID 23168446
6,7-dichloro-8-(4,5,8-tricarboxy-2,3-dichloronaphthalene-1-carbonyl)oxycarbonylnaphthalene-1,4,5-tricarboxylic acid
CID 139556982
8-(8-carboxy-4,5-dichloronaphthalene-1-carbonyl)oxycarbonyl-4,5-dichloronaphthalene-1-carboxylic acid
CID 88778420
3,4-dicarbamoylperylene-1,10-dicarboxylic acid
CID 175502614

Frequently Asked Questions

What is the IUPAC name of 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid?
The IUPAC name of 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid (CID 150458904) is 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid.
What is the SMILES notation for 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid?
The canonical SMILES for 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid is NC(=O)c1cc(Cl)c(C(N)=O)c2c(C(=O)O)ccc(C(=O)O)c12.
What is the InChIKey of 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid?
The InChIKey is HPJIBXDEKPLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O6/c15-7-3-6(11(16)18)8-4(13(20)21)1-2-5(14(22)23)9(8)10(7)12(17)19/h1-3H,(H2,16,18)(H2,17,19)(H,20,21)(H,22,23).
What are the key properties of 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid?
5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid has a molecular weight of 336.69 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dicarbamoyl-6-chloronaphthalene-1,4-dicarboxylic acid is sourced from PubChem (CID 150458904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).