N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide

C14H12BrClN2O — CID 81110900

IUPACN-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-11(15)10(6-8)14(19)18-9-3-5-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyTWUGIFVGVNOVJY-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide

N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide (PubChem CID 81110900) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
PubChem CID81110900
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-11(15)10(6-8)14(19)18-9-3-5-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyTWUGIFVGVNOVJY-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
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

N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide (CID 81110900) is N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(Cl)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide?
The InChIKey is TWUGIFVGVNOVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-4-11(15)10(6-8)14(19)18-9-3-5-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide?
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide is sourced from PubChem (CID 81110900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).