N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide

C14H12BrClN2O — CID 43378791

IUPACN-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
SMILESCc1ccc(N)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-10(17)7-13(8)18-14(19)11-6-9(15)3-5-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHEFNRGNYWYOXQE-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide

N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide (PubChem CID 43378791) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
PubChem CID43378791
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
SMILESCc1ccc(N)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-10(17)7-13(8)18-14(19)11-6-9(15)3-5-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHEFNRGNYWYOXQE-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-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide (CID 43378791) is N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide is Cc1ccc(N)cc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide?
The InChIKey is HEFNRGNYWYOXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-4-10(17)7-13(8)18-14(19)11-6-9(15)3-5-12(11)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide?
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide 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-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 43378791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).