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

C11H10FN5O — CID 95568794

IUPACtrans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)[C@H]1C[C@@H]1c1cccc(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)/t8-,9+/m1/s1
InChIKeyFYUNPNXSOPWYEJ-BDAKNGLRSA-N
MW247.23 g/mol
LogP1.08
Rot. Bonds3

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

trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 95568794) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID95568794
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Nametrans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)[C@H]1C[C@@H]1c1cccc(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)/t8-,9+/m1/s1
InChIKeyFYUNPNXSOPWYEJ-BDAKNGLRSA-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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Related Compounds

cis-(1R,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568796
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 97211305
trans-(1S,2S)-2-(3-fluorophenyl)-N-[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
CID 167869470
2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 71881321
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 95245273
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 86851617
(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 124879260
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 95977222
cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 95178508
cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide
CID 98586288
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (CID 95568794) is trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1nn[nH]n1)[C@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is FYUNPNXSOPWYEJ-BDAKNGLRSA-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)/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-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 trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95568794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).