3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide

C14H11BrCl2N2O — CID 107872101

IUPAC3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11BrCl2N2O/c1-7-12(2-8(15)3-13(7)18)14(20)19-11-5-9(16)4-10(17)6-11/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNOSCFYIGYRMGBP-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.90
Rot. Bonds2

About 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide

3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide (PubChem CID 107872101) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
PubChem CID107872101
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11BrCl2N2O/c1-7-12(2-8(15)3-13(7)18)14(20)19-11-5-9(16)4-10(17)6-11/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNOSCFYIGYRMGBP-UHFFFAOYSA-N
XLogP4.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
3-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide (CID 107872101) is 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide?
The InChIKey is NOSCFYIGYRMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-7-12(2-8(15)3-13(7)18)14(20)19-11-5-9(16)4-10(17)6-11/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide has a molecular weight of 374.07 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide is sourced from PubChem (CID 107872101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).