2-(5-amino-2-chloro-3-fluorophenyl)benzamide

C13H10ClFN2O — CID 145170413

IUPAC2-(5-amino-2-chloro-3-fluorophenyl)benzamide
SMILESNC(=O)c1ccccc1-c1cc(N)cc(F)c1Cl
InChIInChI=1S/C13H10ClFN2O/c14-12-10(5-7(16)6-11(12)15)8-3-1-2-4-9(8)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyIQQCWYGBCHLDFO-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.83
Rot. Bonds2

About 2-(5-amino-2-chloro-3-fluorophenyl)benzamide

2-(5-amino-2-chloro-3-fluorophenyl)benzamide (PubChem CID 145170413) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(5-amino-2-chloro-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-(5-amino-2-chloro-3-fluorophenyl)benzamide
PubChem CID145170413
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(5-amino-2-chloro-3-fluorophenyl)benzamide
SMILESNC(=O)c1ccccc1-c1cc(N)cc(F)c1Cl
InChIInChI=1S/C13H10ClFN2O/c14-12-10(5-7(16)6-11(12)15)8-3-1-2-4-9(8)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyIQQCWYGBCHLDFO-UHFFFAOYSA-N
XLogP2.83
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.83
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

2,5-dichloro-3-fluorobenzamide
CID 121228309
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
2,3-dichloro-4-fluoro-6-phenylbenzamide
CID 118433439
2-(2,6-dichlorophenyl)benzamide
CID 67032434
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
2-fluorobenzamide;dihydrochloride
CID 22563899
2-(5-amino-2-chloro-4-cyanophenyl)benzamide
CID 145170414
5-amino-2-(2-aminophenyl)benzamide
CID 68784077
2-(2,3,5-tribromophenyl)benzamide
CID 175883829
2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide
CID 81185011
5-amino-2,3-dichlorobenzamide
CID 107183127
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chloro-3-fluorophenyl)benzamide?
The IUPAC name of 2-(5-amino-2-chloro-3-fluorophenyl)benzamide (CID 145170413) is 2-(5-amino-2-chloro-3-fluorophenyl)benzamide.
What is the SMILES notation for 2-(5-amino-2-chloro-3-fluorophenyl)benzamide?
The canonical SMILES for 2-(5-amino-2-chloro-3-fluorophenyl)benzamide is NC(=O)c1ccccc1-c1cc(N)cc(F)c1Cl.
What is the InChIKey of 2-(5-amino-2-chloro-3-fluorophenyl)benzamide?
The InChIKey is IQQCWYGBCHLDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-12-10(5-7(16)6-11(12)15)8-3-1-2-4-9(8)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 2-(5-amino-2-chloro-3-fluorophenyl)benzamide?
2-(5-amino-2-chloro-3-fluorophenyl)benzamide has a molecular weight of 264.69 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chloro-3-fluorophenyl)benzamide is sourced from PubChem (CID 145170413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).