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

C16H12Cl2NO4- — CID 7412426

IUPAC4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-9(4-6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyZKPSTNOENWFZGP-UHFFFAOYSA-M
MW353.18 g/mol
LogP3.01
Rot. Bonds5

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

4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate (PubChem CID 7412426) has the molecular formula C16H12Cl2NO4- and a molecular weight of 353.18 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
PubChem CID7412426
Molecular FormulaC16H12Cl2NO4-
Molecular Weight353.18 g/mol
Exact Mass352.01
IUPAC Name4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-9(4-6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyZKPSTNOENWFZGP-UHFFFAOYSA-M
XLogP3.01
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7309263
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoate
CID 6980598
N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
CID 67977860
N-(4-acetylphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide
CID 67977861
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate?
The IUPAC name of 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate (CID 7412426) is 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate is CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl.
What is the InChIKey of 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate?
The InChIKey is ZKPSTNOENWFZGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-9(4-6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate?
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate has a molecular weight of 353.18 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 7412426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).