4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate

C21H13NO6-2 — CID 7232593

IUPAC4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(C(=O)[O-])c1
InChIInChI=1S/C21H15NO6/c23-19(15-11-10-13(20(24)25)12-16(15)21(26)27)22-17-8-4-5-9-18(17)28-14-6-2-1-3-7-14/h1-12H,(H,22,23)(H,24,25)(H,26,27)/p-2
InChIKeyRDSWHBPKNNIZOG-UHFFFAOYSA-L
MW375.34 g/mol
LogP1.46
Rot. Bonds6

About 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate

4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate (PubChem CID 7232593) has the molecular formula C21H13NO6-2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
PubChem CID7232593
Molecular FormulaC21H13NO6-2
Molecular Weight375.34 g/mol
Exact Mass375.08
IUPAC Name4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(C(=O)[O-])c1
InChIInChI=1S/C21H15NO6/c23-19(15-11-10-13(20(24)25)12-16(15)21(26)27)22-17-8-4-5-9-18(17)28-14-6-2-1-3-7-14/h1-12H,(H,22,23)(H,24,25)(H,26,27)/p-2
InChIKeyRDSWHBPKNNIZOG-UHFFFAOYSA-L
XLogP1.46
TPSA118.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
4-isocyanato-N-(2-phenoxyphenyl)benzamide
CID 169353101
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate
CID 7312565
benzene;benzene-1,2,4-tricarboxylate
CID 19097982

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate?
The IUPAC name of 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate (CID 7232593) is 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate.
What is the SMILES notation for 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate?
The canonical SMILES for 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate is O=C([O-])c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(C(=O)[O-])c1.
What is the InChIKey of 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate?
The InChIKey is RDSWHBPKNNIZOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H15NO6/c23-19(15-11-10-13(20(24)25)12-16(15)21(26)27)22-17-8-4-5-9-18(17)28-14-6-2-1-3-7-14/h1-12H,(H,22,23)(H,24,25)(H,26,27)/p-2.
What are the key properties of 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate?
4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate has a molecular weight of 375.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 7232593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).