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

C13H9Cl3N2O — CID 61090012

IUPAC3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-2-1-3-9(6-8)18-13(19)7-4-10(15)12(16)11(17)5-7/h1-6H,17H2,(H,18,19)
InChIKeyAJJDVLRZLFNNJU-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.48
Rot. Bonds2

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

3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide (PubChem CID 61090012) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
PubChem CID61090012
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-2-1-3-9(6-8)18-13(19)7-4-10(15)12(16)11(17)5-7/h1-6H,17H2,(H,18,19)
InChIKeyAJJDVLRZLFNNJU-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

3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
3-amino-4,5-dichloro-N-(3-ethynylphenyl)benzamide
CID 61117105
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
CID 61092953
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
4-(3-aminoprop-1-ynyl)-3-chloro-N-(3-chlorophenyl)benzamide
CID 81292464
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide (CID 61090012) is 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide is Nc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide?
The InChIKey is AJJDVLRZLFNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-8-2-1-3-9(6-8)18-13(19)7-4-10(15)12(16)11(17)5-7/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide?
3-amino-4,5-dichloro-N-(3-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 3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 61090012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).