2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide

C12H9ClFN3O — CID 114052160

IUPAC2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H9ClFN3O/c13-7-3-4-16-11(5-7)17-12(18)9-6-8(14)1-2-10(9)15/h1-6H,15H2,(H,16,17,18)
InChIKeyKSCGGODLJQKEOO-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide

2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide (PubChem CID 114052160) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
PubChem CID114052160
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H9ClFN3O/c13-7-3-4-16-11(5-7)17-12(18)9-6-8(14)1-2-10(9)15/h1-6H,15H2,(H,16,17,18)
InChIKeyKSCGGODLJQKEOO-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.71
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

2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
CID 113228212

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide (CID 114052160) is 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide is Nc1ccc(F)cc1C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide?
The InChIKey is KSCGGODLJQKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-7-3-4-16-11(5-7)17-12(18)9-6-8(14)1-2-10(9)15/h1-6H,15H2,(H,16,17,18).
What are the key properties of 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide?
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide has a molecular weight of 265.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 114052160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).