3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide

C14H11Cl3N2O — CID 23464406

IUPAC3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
SMILESCc1c(N)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-7-8(3-2-4-12(7)18)14(20)19-13-6-10(16)9(15)5-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHHIDTZXUNKELSG-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.79
Rot. Bonds2

About 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide

3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 23464406) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID23464406
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
SMILESCc1c(N)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-7-8(3-2-4-12(7)18)14(20)19-13-6-10(16)9(15)5-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHHIDTZXUNKELSG-UHFFFAOYSA-N
XLogP4.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide (CID 23464406) is 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide is Cc1c(N)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is HHIDTZXUNKELSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-7-8(3-2-4-12(7)18)14(20)19-13-6-10(16)9(15)5-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide?
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 329.61 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 23464406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).