2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide

C14H11Cl3N2O — CID 62510533

IUPAC2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1ccc(N)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNTJJGEZMPAWSBH-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.79
Rot. Bonds2

About 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide

2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 62510533) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID62510533
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1ccc(N)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNTJJGEZMPAWSBH-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'}

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Related Compounds

2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418
2-amino-N-(2,3-dichlorophenyl)-5-methylbenzamide
CID 62509307
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511408

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide (CID 62510533) is 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide is Cc1ccc(N)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is NTJJGEZMPAWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide?
2-amino-5-methyl-N-(2,4,6-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 2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 62510533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).