3-[(2,4-dimethoxybenzoyl)amino]benzoate

C16H14NO5- — CID 7375040

IUPAC3-[(2,4-dimethoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1
InChIInChI=1S/C16H15NO5/c1-21-12-6-7-13(14(9-12)22-2)15(18)17-11-5-3-4-10(8-11)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyDHVLSHYTAWWGDZ-UHFFFAOYSA-M
MW300.29 g/mol
LogP1.32
Rot. Bonds5

About 3-[(2,4-dimethoxybenzoyl)amino]benzoate

3-[(2,4-dimethoxybenzoyl)amino]benzoate (PubChem CID 7375040) has the molecular formula C16H14NO5- and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-[(2,4-dimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name3-[(2,4-dimethoxybenzoyl)amino]benzoate
PubChem CID7375040
Molecular FormulaC16H14NO5-
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-[(2,4-dimethoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1
InChIInChI=1S/C16H15NO5/c1-21-12-6-7-13(14(9-12)22-2)15(18)17-11-5-3-4-10(8-11)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyDHVLSHYTAWWGDZ-UHFFFAOYSA-M
XLogP1.32
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
2,4-dimethoxybenzoate
CID 6947027
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide
CID 29032119
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2,4,5-trimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17403518
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxybenzoyl)amino]benzoate?
The IUPAC name of 3-[(2,4-dimethoxybenzoyl)amino]benzoate (CID 7375040) is 3-[(2,4-dimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for 3-[(2,4-dimethoxybenzoyl)amino]benzoate?
The canonical SMILES for 3-[(2,4-dimethoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxybenzoyl)amino]benzoate?
The InChIKey is DHVLSHYTAWWGDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO5/c1-21-12-6-7-13(14(9-12)22-2)15(18)17-11-5-3-4-10(8-11)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 3-[(2,4-dimethoxybenzoyl)amino]benzoate?
3-[(2,4-dimethoxybenzoyl)amino]benzoate has a molecular weight of 300.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 7375040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).