3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide

C13H9Cl2FN2O — CID 112574586

IUPAC3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-6-7(4-5-10(9)16)18-13(19)8-2-1-3-11(17)12(8)15/h1-6H,17H2,(H,18,19)
InChIKeyAIWDXILATLJXBV-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.97
Rot. Bonds2

About 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide

3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 112574586) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
PubChem CID112574586
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-6-7(4-5-10(9)16)18-13(19)8-2-1-3-11(17)12(8)15/h1-6H,17H2,(H,18,19)
InChIKeyAIWDXILATLJXBV-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.97
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

N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide (CID 112574586) is 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide is Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is AIWDXILATLJXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-9-6-7(4-5-10(9)16)18-13(19)8-2-1-3-11(17)12(8)15/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide?
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 299.13 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 112574586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).