4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide

C15H14Cl2N2O — CID 29273488

IUPAC4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2c(Cl)ccc(C)c2Cl)ccc1N
InChIInChI=1S/C15H14Cl2N2O/c1-8-3-5-11(16)14(13(8)17)19-15(20)10-4-6-12(18)9(2)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyPGRFPTLYHXHQRD-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.44
Rot. Bonds2

About 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide

4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide (PubChem CID 29273488) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
PubChem CID29273488
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2c(Cl)ccc(C)c2Cl)ccc1N
InChIInChI=1S/C15H14Cl2N2O/c1-8-3-5-11(16)14(13(8)17)19-15(20)10-4-6-12(18)9(2)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyPGRFPTLYHXHQRD-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-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 79714079
4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 43333397
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide (CID 29273488) is 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2c(Cl)ccc(C)c2Cl)ccc1N.
What is the InChIKey of 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide?
The InChIKey is PGRFPTLYHXHQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-8-3-5-11(16)14(13(8)17)19-15(20)10-4-6-12(18)9(2)7-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide?
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide 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-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 29273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).