2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide

C13H9ClF2N2O — CID 16796170

IUPAC2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9ClF2N2O/c14-7-1-3-11(17)9(5-7)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyLLYJOFNWQJPJKZ-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide

2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide (PubChem CID 16796170) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
PubChem CID16796170
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9ClF2N2O/c14-7-1-3-11(17)9(5-7)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyLLYJOFNWQJPJKZ-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.45
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

2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
3-amino-2,6-dichloro-N-(2,4-difluorophenyl)benzamide
CID 134417761
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide (CID 16796170) is 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide is Nc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide?
The InChIKey is LLYJOFNWQJPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-7-1-3-11(17)9(5-7)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide?
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide has a molecular weight of 282.68 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 16796170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).