2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide

C11H10FN5O — CID 56824718

IUPAC2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)C1CC1c1cccc(F)c1
InChIInChI=1S/C11H10FN5O/c12-7-3-1-2-6(4-7)8-5-9(8)10(18)13-11-14-16-17-15-11/h1-4,8-9H,5H2,(H2,13,14,15,16,17,18)
InChIKeyFYUNPNXSOPWYEJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.08
Rot. Bonds3

About 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide

2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 56824718) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID56824718
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)C1CC1c1cccc(F)c1
InChIInChI=1S/C11H10FN5O/c12-7-3-1-2-6(4-7)8-5-9(8)10(18)13-11-14-16-17-15-11/h1-4,8-9H,5H2,(H2,13,14,15,16,17,18)
InChIKeyFYUNPNXSOPWYEJ-UHFFFAOYSA-N
XLogP1.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (CID 56824718) is 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1nn[nH]n1)C1CC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is FYUNPNXSOPWYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-7-3-1-2-6(4-7)8-5-9(8)10(18)13-11-14-16-17-15-11/h1-4,8-9H,5H2,(H2,13,14,15,16,17,18).
What are the key properties of 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56824718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).