cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide

C17H16FN3O2 — CID 98586288

IUPACcis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide
SMILESO=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H16FN3O2/c18-12-5-3-4-11(8-12)14-10-15(14)17(23)21-20-16(22)9-13-6-1-2-7-19-13/h1-8,14-15H,9-10H2,(H,20,22)(H,21,23)/t14-,15-/m1/s1
InChIKeyUYAIGYXRDRNKCA-HUUCEWRRSA-N
MW313.33 g/mol
LogP1.71
Rot. Bonds4

About cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide

cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide (PubChem CID 98586288) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide
PubChem CID98586288
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Namecis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide
SMILESO=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H16FN3O2/c18-12-5-3-4-11(8-12)14-10-15(14)17(23)21-20-16(22)9-13-6-1-2-7-19-13/h1-8,14-15H,9-10H2,(H,20,22)(H,21,23)/t14-,15-/m1/s1
InChIKeyUYAIGYXRDRNKCA-HUUCEWRRSA-N
XLogP1.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
(3R,4S)-4-(3-fluorophenyl)-1-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93152561
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568794
cis-(1R,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568796
2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 71881321
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610
N-(6-fluoro-2-pyridinyl)-2-pyridin-2-ylacetamide
CID 104820505
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 95245273

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide (CID 98586288) is cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide is O=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide?
The InChIKey is UYAIGYXRDRNKCA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-12-5-3-4-11(8-12)14-10-15(14)17(23)21-20-16(22)9-13-6-1-2-7-19-13/h1-8,14-15H,9-10H2,(H,20,22)(H,21,23)/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide?
cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide has a molecular weight of 313.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 98586288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).