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

C21H13Cl2N2O4- — CID 6958356

IUPAC2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C21H14Cl2N2O4/c22-16-10-9-12(11-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h1-11H,(H,24,27)(H,25,26)(H,28,29)/p-1
InChIKeyJNCREUPCTYNFNT-UHFFFAOYSA-M
MW428.25 g/mol
LogP3.86
Rot. Bonds5

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

2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate (PubChem CID 6958356) has the molecular formula C21H13Cl2N2O4- and a molecular weight of 428.25 g/mol. Its IUPAC name is 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
PubChem CID6958356
Molecular FormulaC21H13Cl2N2O4-
Molecular Weight428.25 g/mol
Exact Mass427.03
IUPAC Name2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C21H14Cl2N2O4/c22-16-10-9-12(11-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h1-11H,(H,24,27)(H,25,26)(H,28,29)/p-1
InChIKeyJNCREUPCTYNFNT-UHFFFAOYSA-M
XLogP3.86
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
2-[(3,4-dichlorophenyl)carbamoyl]-4-nitrobenzoate
CID 7386526
2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate
CID 3340445
N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
2-[(3,4-dichlorophenyl)carbamothioylamino]benzamide
CID 3658903
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
CID 9326527
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The IUPAC name of 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate (CID 6958356) is 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1ccccc1C(=O)[O-].
What is the InChIKey of 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The InChIKey is JNCREUPCTYNFNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14Cl2N2O4/c22-16-10-9-12(11-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h1-11H,(H,24,27)(H,25,26)(H,28,29)/p-1.
What are the key properties of 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate?
2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate has a molecular weight of 428.25 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 6958356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).