5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate

C15H8ClNO5-2 — CID 3603444

IUPAC5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESO=C([O-])c1cc(NC(=O)c2ccccc2Cl)cc(C(=O)[O-])c1
InChIInChI=1S/C15H10ClNO5/c16-12-4-2-1-3-11(12)13(18)17-10-6-8(14(19)20)5-9(7-10)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)/p-2
InChIKeyZTPGEDDTXTWHKF-UHFFFAOYSA-L
MW317.68 g/mol
LogP0.32
Rot. Bonds4

About 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate

5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 3603444) has the molecular formula C15H8ClNO5-2 and a molecular weight of 317.68 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID3603444
Molecular FormulaC15H8ClNO5-2
Molecular Weight317.68 g/mol
Exact Mass317.01
IUPAC Name5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESO=C([O-])c1cc(NC(=O)c2ccccc2Cl)cc(C(=O)[O-])c1
InChIInChI=1S/C15H10ClNO5/c16-12-4-2-1-3-11(12)13(18)17-10-6-8(14(19)20)5-9(7-10)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)/p-2
InChIKeyZTPGEDDTXTWHKF-UHFFFAOYSA-L
XLogP0.32
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.68
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide
CID 69255811
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate (CID 3603444) is 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate is O=C([O-])c1cc(NC(=O)c2ccccc2Cl)cc(C(=O)[O-])c1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is ZTPGEDDTXTWHKF-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H10ClNO5/c16-12-4-2-1-3-11(12)13(18)17-10-6-8(14(19)20)5-9(7-10)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)/p-2.
What are the key properties of 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 317.68 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3603444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).