5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide

C14H12Cl2N2O — CID 61291913

IUPAC5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-2-3-9(17)6-11(8)14(19)18-10-4-5-12(15)13(16)7-10/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIPKRVOGSAHPIDS-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.14
Rot. Bonds2

About 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide

5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide (PubChem CID 61291913) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
PubChem CID61291913
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-2-3-9(17)6-11(8)14(19)18-10-4-5-12(15)13(16)7-10/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIPKRVOGSAHPIDS-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.14
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

5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
CID 28723012

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide (CID 61291913) is 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide?
The InChIKey is IPKRVOGSAHPIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-2-3-9(17)6-11(8)14(19)18-10-4-5-12(15)13(16)7-10/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide?
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide has a molecular weight of 295.17 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide is sourced from PubChem (CID 61291913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).