5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid

C23H15NO10 — CID 139671784

IUPAC5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C23H15NO10/c25-19(24-11-6-8-13(9-7-11)34-12-4-2-1-3-5-12)14-10-15(20(26)27)17(22(30)31)18(23(32)33)16(14)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKeyFCYNYXKMTCAKLJ-UHFFFAOYSA-N
MW465.37 g/mol
LogP3.52
Rot. Bonds8

About 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid

5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid (PubChem CID 139671784) has the molecular formula C23H15NO10 and a molecular weight of 465.37 g/mol. Its IUPAC name is 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid
PubChem CID139671784
Molecular FormulaC23H15NO10
Molecular Weight465.37 g/mol
Exact Mass465.07
IUPAC Name5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C23H15NO10/c25-19(24-11-6-8-13(9-7-11)34-12-4-2-1-3-5-12)14-10-15(20(26)27)17(22(30)31)18(23(32)33)16(14)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKeyFCYNYXKMTCAKLJ-UHFFFAOYSA-N
XLogP3.52
TPSA187.53 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 53.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
6-(phenylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 54546942
2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
2-benzyl-N-(4-phenoxyphenyl)benzamide
CID 7914966
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 59767724
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
2-phenoxy-N-phenylbenzamide
CID 3402306
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid (CID 139671784) is 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid is O=C(O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is FCYNYXKMTCAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO10/c25-19(24-11-6-8-13(9-7-11)34-12-4-2-1-3-5-12)14-10-15(20(26)27)17(22(30)31)18(23(32)33)16(14)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid?
5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 465.37 g/mol, XLogP of 3.52, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenoxyphenyl)carbamoyl]benzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 139671784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).