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

C13H9Cl2FN2O — CID 29079625

IUPAC5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(16)5-11(12)15/h1-6H,17H2,(H,18,19)
InChIKeyKNPMQZSQADNVFD-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.97
Rot. Bonds2

About 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide

5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide (PubChem CID 29079625) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
PubChem CID29079625
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(16)5-11(12)15/h1-6H,17H2,(H,18,19)
InChIKeyKNPMQZSQADNVFD-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

5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide (CID 29079625) is 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide is Nc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide?
The InChIKey is KNPMQZSQADNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-10-3-2-8(17)6-9(10)13(19)18-12-4-1-7(16)5-11(12)15/h1-6H,17H2,(H,18,19).
What are the key properties of 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide?
5-amino-2-chloro-N-(2-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 5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 29079625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).