4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide

C14H11BrCl2N2O — CID 82833101

IUPAC4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1Br
InChIInChI=1S/C14H11BrCl2N2O/c1-7-3-2-4-11(12(7)15)19-14(20)8-5-9(16)13(18)10(17)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyWONRQXKGSZSJKU-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.90
Rot. Bonds2

About 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide

4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide (PubChem CID 82833101) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
PubChem CID82833101
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1Br
InChIInChI=1S/C14H11BrCl2N2O/c1-7-3-2-4-11(12(7)15)19-14(20)8-5-9(16)13(18)10(17)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyWONRQXKGSZSJKU-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 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide 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

4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
CID 106509671
N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820906
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
4-amino-3,5-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 82786177
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide?
The IUPAC name of 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide (CID 82833101) is 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide.
What is the SMILES notation for 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide?
The canonical SMILES for 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide is Cc1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1Br.
What is the InChIKey of 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide?
The InChIKey is WONRQXKGSZSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-7-3-2-4-11(12(7)15)19-14(20)8-5-9(16)13(18)10(17)6-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide?
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide 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 4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 82833101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).