2-[(3,4-dichlorophenyl)carbamoyl]benzoate

C14H8Cl2NO3- — CID 5106258

IUPAC2-[(3,4-dichlorophenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1
InChIKeyIJDPTPLIVARLPT-UHFFFAOYSA-M
MW309.13 g/mol
LogP2.61
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)carbamoyl]benzoate

2-[(3,4-dichlorophenyl)carbamoyl]benzoate (PubChem CID 5106258) has the molecular formula C14H8Cl2NO3- and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoyl]benzoate
PubChem CID5106258
Molecular FormulaC14H8Cl2NO3-
Molecular Weight309.13 g/mol
Exact Mass307.99
IUPAC Name2-[(3,4-dichlorophenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1
InChIKeyIJDPTPLIVARLPT-UHFFFAOYSA-M
XLogP2.61
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 6958356
2-[(3,4-dichlorophenyl)carbamoyl]-4-nitrobenzoate
CID 7386526
2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate
CID 3340445
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 3603444
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
2-(cyanomethylsulfanyl)-N-(3,4-dichlorophenyl)benzamide
CID 36677970

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl]benzoate (CID 5106258) is 2-[(3,4-dichlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoyl]benzoate is O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoyl]benzoate?
The InChIKey is IJDPTPLIVARLPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9Cl2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoyl]benzoate?
2-[(3,4-dichlorophenyl)carbamoyl]benzoate has a molecular weight of 309.13 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 5106258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).