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

C13H9Cl3N2O — CID 82832841

IUPAC4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-3-1-2-4-11(8)18-13(19)7-5-9(15)12(17)10(16)6-7/h1-6H,17H2,(H,18,19)
InChIKeyKMNXRIKMTUTAQA-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.48
Rot. Bonds2

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

4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide (PubChem CID 82832841) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
PubChem CID82832841
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-3-1-2-4-11(8)18-13(19)7-5-9(15)12(17)10(16)6-7/h1-6H,17H2,(H,18,19)
InChIKeyKMNXRIKMTUTAQA-UHFFFAOYSA-N
XLogP4.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.48
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-methoxyphenyl)benzamide
CID 82792962
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
4-amino-3,5-dichloro-N-(4-iodophenyl)benzamide
CID 82833125
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
5-[(2-chlorophenyl)carbamoyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
CID 163158165
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide (CID 82832841) is 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide is Nc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide?
The InChIKey is KMNXRIKMTUTAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-8-3-1-2-4-11(8)18-13(19)7-5-9(15)12(17)10(16)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of 4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide?
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide has a molecular weight of 315.59 g/mol, XLogP of 4.48, 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-chlorophenyl)benzamide is sourced from PubChem (CID 82832841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).