N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide

C15H14Cl2N2O — CID 103110309

IUPACN-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
SMILESCc1c(N)cccc1CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-10(4-2-7-13(9)18)8-19-15(20)11-5-3-6-12(16)14(11)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyMSFYJMUSMUBHPJ-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.81
Rot. Bonds3

About N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide

N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide (PubChem CID 103110309) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
PubChem CID103110309
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
SMILESCc1c(N)cccc1CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-10(4-2-7-13(9)18)8-19-15(20)11-5-3-6-12(16)14(11)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyMSFYJMUSMUBHPJ-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-amino-2-methylphenyl)methyl]-2,3-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

N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
CID 106500148
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
CID 23019985
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide (CID 103110309) is N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide is Cc1c(N)cccc1CNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide?
The InChIKey is MSFYJMUSMUBHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-10(4-2-7-13(9)18)8-19-15(20)11-5-3-6-12(16)14(11)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide?
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide has a molecular weight of 309.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide is sourced from PubChem (CID 103110309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).