3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide

C12H8Cl2FN3O — CID 65480857

IUPAC3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cn2)cc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2FN3O/c13-8-3-6(4-9(16)11(8)14)12(19)18-10-2-1-7(15)5-17-10/h1-5H,16H2,(H,17,18,19)
InChIKeyVYOXVSSCTVKMQC-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.36
Rot. Bonds2

About 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide

3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 65480857) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID65480857
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cn2)cc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2FN3O/c13-8-3-6(4-9(16)11(8)14)12(19)18-10-2-1-7(15)5-17-10/h1-5H,16H2,(H,17,18,19)
InChIKeyVYOXVSSCTVKMQC-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.36
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

3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
5-chloro-N-(5-fluoro-2-pyridinyl)-6-hydrazinylpyridine-3-carboxamide
CID 65481484
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 112576003
4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 81294398
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
6-amino-3-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 65482280
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide (CID 65480857) is 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide is Nc1cc(C(=O)Nc2ccc(F)cn2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is VYOXVSSCTVKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-8-3-6(4-9(16)11(8)14)12(19)18-10-2-1-7(15)5-17-10/h1-5H,16H2,(H,17,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide?
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide has a molecular weight of 300.12 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 65480857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).