4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide

C15H14Cl2N2O — CID 82826777

IUPAC4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C
InChIInChI=1S/C15H14Cl2N2O/c1-8-4-3-5-13(9(8)2)19-15(20)10-6-11(16)14(18)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyPUBMYXDSJAULDC-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.44
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide

4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide (PubChem CID 82826777) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
PubChem CID82826777
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C
InChIInChI=1S/C15H14Cl2N2O/c1-8-4-3-5-13(9(8)2)19-15(20)10-6-11(16)14(18)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyPUBMYXDSJAULDC-UHFFFAOYSA-N
XLogP4.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.44
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

4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
CID 63187147
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
2-chloro-N-(2,3-dimethylphenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62241615
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
4-amino-3,5-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 82786177

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide (CID 82826777) is 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is PUBMYXDSJAULDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-8-4-3-5-13(9(8)2)19-15(20)10-6-11(16)14(18)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide?
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 309.20 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 82826777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).