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

C14H12Cl2N2O — CID 61090802

IUPAC3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-4-2-3-5-12(8)18-14(19)9-6-10(15)13(16)11(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHOSMQUSOAHFYSA-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.14
Rot. Bonds2

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

3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide (PubChem CID 61090802) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
PubChem CID61090802
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-4-2-3-5-12(8)18-14(19)9-6-10(15)13(16)11(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHOSMQUSOAHFYSA-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

3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
CID 63326386
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide (CID 61090802) is 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide?
The InChIKey is HOSMQUSOAHFYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-4-2-3-5-12(8)18-14(19)9-6-10(15)13(16)11(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide?
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide 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 3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 61090802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).