N-(5-amino-2-chlorophenyl)-3-bromobenzamide

C13H10BrClN2O — CID 28866832

IUPACN-(5-amino-2-chlorophenyl)-3-bromobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C13H10BrClN2O/c14-9-3-1-2-8(6-9)13(18)17-12-7-10(16)4-5-11(12)15/h1-7H,16H2,(H,17,18)
InChIKeyFNNWSBOIJTXDNU-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.94
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-3-bromobenzamide

N-(5-amino-2-chlorophenyl)-3-bromobenzamide (PubChem CID 28866832) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-bromobenzamide
PubChem CID28866832
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(5-amino-2-chlorophenyl)-3-bromobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C13H10BrClN2O/c14-9-3-1-2-8(6-9)13(18)17-12-7-10(16)4-5-11(12)15/h1-7H,16H2,(H,17,18)
InChIKeyFNNWSBOIJTXDNU-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
CID 1034731
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-bromobenzamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-bromobenzamide (CID 28866832) is N-(5-amino-2-chlorophenyl)-3-bromobenzamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-bromobenzamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-bromobenzamide is Nc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-bromobenzamide?
The InChIKey is FNNWSBOIJTXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-9-3-1-2-8(6-9)13(18)17-12-7-10(16)4-5-11(12)15/h1-7H,16H2,(H,17,18).
What are the key properties of N-(5-amino-2-chlorophenyl)-3-bromobenzamide?
N-(5-amino-2-chlorophenyl)-3-bromobenzamide has a molecular weight of 325.59 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-3-bromobenzamide is sourced from PubChem (CID 28866832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).