2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate

C15H10Cl2NO4- — CID 7375111

IUPAC2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
SMILESCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl
InChIInChI=1S/C15H11Cl2NO4/c1-22-13-10(16)6-8(7-11(13)17)14(19)18-12-5-3-2-4-9(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyXSHNMHNNUOPXLB-UHFFFAOYSA-M
MW339.15 g/mol
LogP2.62
Rot. Bonds4

About 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate

2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate (PubChem CID 7375111) has the molecular formula C15H10Cl2NO4- and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
PubChem CID7375111
Molecular FormulaC15H10Cl2NO4-
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
SMILESCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl
InChIInChI=1S/C15H11Cl2NO4/c1-22-13-10(16)6-8(7-11(13)17)14(19)18-12-5-3-2-4-9(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyXSHNMHNNUOPXLB-UHFFFAOYSA-M
XLogP2.62
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
3,5-dichloro-4-methoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361254
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3,5-dichloro-4-methoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17361831
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
zinc bis(2-benzamidobenzoate)
CID 67586546
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 2305962

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate (CID 7375111) is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate is COc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
The InChIKey is XSHNMHNNUOPXLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11Cl2NO4/c1-22-13-10(16)6-8(7-11(13)17)14(19)18-12-5-3-2-4-9(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate has a molecular weight of 339.15 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 7375111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).