5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide

C14H9Cl2N3O — CID 107183181

IUPAC5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cc(N)cc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-12-6-9(18)5-11(13(12)16)14(20)19-10-3-1-2-8(4-10)7-17/h1-6H,18H2,(H,19,20)
InChIKeyXCYPRSSCVNMQFN-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.70
Rot. Bonds2

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

5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide (PubChem CID 107183181) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
PubChem CID107183181
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cc(N)cc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-12-6-9(18)5-11(13(12)16)14(20)19-10-3-1-2-8(4-10)7-17/h1-6H,18H2,(H,19,20)
InChIKeyXCYPRSSCVNMQFN-UHFFFAOYSA-N
XLogP3.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 62156588
methyl 5-amino-3-chloro-2-(3-cyanoanilino)benzoate
CID 107193190
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107185676
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide (CID 107183181) is 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide is N#Cc1cccc(NC(=O)c2cc(N)cc(Cl)c2Cl)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide?
The InChIKey is XCYPRSSCVNMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-12-6-9(18)5-11(13(12)16)14(20)19-10-3-1-2-8(4-10)7-17/h1-6H,18H2,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide?
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide has a molecular weight of 306.15 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide is sourced from PubChem (CID 107183181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).