trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide

C17H17FN2O — CID 166239895

IUPACtrans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccnc1F
InChIInChI=1S/C17H17FN2O/c1-2-11-6-3-4-7-12(11)13-10-14(13)17(21)20-15-8-5-9-19-16(15)18/h3-9,13-14H,2,10H2,1H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyUAJCCULXRCVEBQ-UONOGXRCSA-N
MW284.33 g/mol
LogP3.53
Rot. Bonds4

About trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 166239895) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID166239895
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Nametrans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccnc1F
InChIInChI=1S/C17H17FN2O/c1-2-11-6-3-4-7-12(11)13-10-14(13)17(21)20-15-8-5-9-19-16(15)18/h3-9,13-14H,2,10H2,1H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyUAJCCULXRCVEBQ-UONOGXRCSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527
trans-(1R,2R)-2-(2-fluorophenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 97014213
N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
trans-(1S,2S)-N-(2-morpholin-4-yl-3-pyridinyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95163635
trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[2-(pyridin-3-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 99785302
N-[2-(ethylaminomethyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119438897
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51458730
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide (CID 166239895) is trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide is CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccnc1F.
What is the InChIKey of trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is UAJCCULXRCVEBQ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-11-6-3-4-7-12(11)13-10-14(13)17(21)20-15-8-5-9-19-16(15)18/h3-9,13-14H,2,10H2,1H3,(H,20,21)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166239895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).