cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide

C18H19ClF2N4O2 — CID 163889771

IUPACcyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide
SMILESNc1cc(F)ccn1.O=C(Cl)C1CC1.O=C(Nc1cc(F)ccn1)C1CC1
InChIInChI=1S/C9H9FN2O.C5H5FN2.C4H5ClO/c10-7-3-4-11-8(5-7)12-9(13)6-1-2-6;6-4-1-2-8-5(7)3-4;5-4(6)3-1-2-3/h3-6H,1-2H2,(H,11,12,13);1-3H,(H2,7,8);3H,1-2H2
InChIKeyQAOBLLOAFKTTDY-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.53
Rot. Bonds3

About cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide

cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide (PubChem CID 163889771) has the molecular formula C18H19ClF2N4O2 and a molecular weight of 396.83 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound Namecyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide
PubChem CID163889771
Molecular FormulaC18H19ClF2N4O2
Molecular Weight396.83 g/mol
Exact Mass396.12
IUPAC Namecyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide
SMILESNc1cc(F)ccn1.O=C(Cl)C1CC1.O=C(Nc1cc(F)ccn1)C1CC1
InChIInChI=1S/C9H9FN2O.C5H5FN2.C4H5ClO/c10-7-3-4-11-8(5-7)12-9(13)6-1-2-6;6-4-1-2-8-5(7)3-4;5-4(6)3-1-2-3/h3-6H,1-2H2,(H,11,12,13);1-3H,(H2,7,8);3H,1-2H2
InChIKeyQAOBLLOAFKTTDY-UHFFFAOYSA-N
XLogP3.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide (CID 163889771) is cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide is Nc1cc(F)ccn1.O=C(Cl)C1CC1.O=C(Nc1cc(F)ccn1)C1CC1.
What is the InChIKey of cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide?
The InChIKey is QAOBLLOAFKTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O.C5H5FN2.C4H5ClO/c10-7-3-4-11-8(5-7)12-9(13)6-1-2-6;6-4-1-2-8-5(7)3-4;5-4(6)3-1-2-3/h3-6H,1-2H2,(H,11,12,13);1-3H,(H2,7,8);3H,1-2H2.
What are the key properties of cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide?
cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl chloride;4-fluoropyridin-2-amine;N-(4-fluoro-2-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 163889771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).