N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide

C15H14BrClN2O — CID 104667657

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(N)cc2C)c(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-8-3-4-10(11(16)5-8)15(20)19-14-7-12(17)13(18)6-9(14)2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLQOBYIVFYHGANX-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.55
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide

N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide (PubChem CID 104667657) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide
PubChem CID104667657
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(N)cc2C)c(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-8-3-4-10(11(16)5-8)15(20)19-14-7-12(17)13(18)6-9(14)2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyLQOBYIVFYHGANX-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.55
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-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(4-amino-5-chloro-2-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 104667390
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide (CID 104667657) is N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(N)cc2C)c(Br)c1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide?
The InChIKey is LQOBYIVFYHGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-8-3-4-10(11(16)5-8)15(20)19-14-7-12(17)13(18)6-9(14)2/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide is sourced from PubChem (CID 104667657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).