2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate

C14H9BrClN2O3- — CID 3340445

IUPAC2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate
SMILESNc1c(Cl)cc(NC(=O)c2ccccc2C(=O)[O-])cc1Br
InChIInChI=1S/C14H10BrClN2O3/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)/p-1
InChIKeyIQQFDQYQMPQFBD-UHFFFAOYSA-M
MW368.59 g/mol
LogP2.30
Rot. Bonds3

About 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate

2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate (PubChem CID 3340445) has the molecular formula C14H9BrClN2O3- and a molecular weight of 368.59 g/mol. Its IUPAC name is 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate
PubChem CID3340445
Molecular FormulaC14H9BrClN2O3-
Molecular Weight368.59 g/mol
Exact Mass366.95
IUPAC Name2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate
SMILESNc1c(Cl)cc(NC(=O)c2ccccc2C(=O)[O-])cc1Br
InChIInChI=1S/C14H10BrClN2O3/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)/p-1
InChIKeyIQQFDQYQMPQFBD-UHFFFAOYSA-M
XLogP2.30
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 6958356
5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 3603444
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
2-[(2-bromobenzoyl)amino]-4-chlorobenzoate
CID 6981039
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
2-amino-5-bromo-3-chlorobenzoate
CID 6948109
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate (CID 3340445) is 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate is Nc1c(Cl)cc(NC(=O)c2ccccc2C(=O)[O-])cc1Br.
What is the InChIKey of 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate?
The InChIKey is IQQFDQYQMPQFBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10BrClN2O3/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)/p-1.
What are the key properties of 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate?
2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate has a molecular weight of 368.59 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 3340445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).