N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide

C15H13BrCl2N2O — CID 107793571

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-8-7-9(19-2)3-4-10(8)15(21)20-12-6-5-11(16)13(17)14(12)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyPCFTXADNEZKSFA-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.36
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide

N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide (PubChem CID 107793571) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide
PubChem CID107793571
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-8-7-9(19-2)3-4-10(8)15(21)20-12-6-5-11(16)13(17)14(12)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyPCFTXADNEZKSFA-UHFFFAOYSA-N
XLogP5.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 107793513
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
2,4-dihydroxy-N-[2-methyl-4-(methylamino)phenyl]benzamide
CID 143020352
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
CID 113400222
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide (CID 107793571) is N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c(C)c1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide?
The InChIKey is PCFTXADNEZKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-8-7-9(19-2)3-4-10(8)15(21)20-12-6-5-11(16)13(17)14(12)18/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide?
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide has a molecular weight of 388.09 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 107793571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).