4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide

C15H11ClFN3O — CID 81294398

IUPAC4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1Cl
InChIInChI=1S/C15H11ClFN3O/c16-13-8-11(4-3-10(13)2-1-7-18)15(21)20-14-6-5-12(17)9-19-14/h3-6,8-9H,7,18H2,(H,19,20,21)
InChIKeyPBJGSMLOCLAFCE-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.44
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide

4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 81294398) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID81294398
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1Cl
InChIInChI=1S/C15H11ClFN3O/c16-13-8-11(4-3-10(13)2-1-7-18)15(21)20-14-6-5-12(17)9-19-14/h3-6,8-9H,7,18H2,(H,19,20,21)
InChIKeyPBJGSMLOCLAFCE-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
4-(3-aminoprop-1-ynyl)-3-chloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787631
3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81291280
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
4-(3-aminoprop-1-ynyl)-3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 81295664
4-(3-aminoprop-1-ynyl)-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 81295846
5-chloro-N-(5-fluoro-2-pyridinyl)-6-hydrazinylpyridine-3-carboxamide
CID 65481484
4-(3-aminoprop-1-ynyl)-3-chloro-N-(3-chlorophenyl)benzamide
CID 81292464
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide (CID 81294398) is 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide is NCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1Cl.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is PBJGSMLOCLAFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-13-8-11(4-3-10(13)2-1-7-18)15(21)20-14-6-5-12(17)9-19-14/h3-6,8-9H,7,18H2,(H,19,20,21).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide?
4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide has a molecular weight of 303.72 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 81294398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).