cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H23FN2O — CID 124740614

IUPACcis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20-9-3-4-14(20)11-19-17(21)16-10-15(16)12-5-7-13(18)8-6-12/h5-8,14-16H,2-4,9-11H2,1H3,(H,19,21)/t14-,15+,16+/m1/s1
InChIKeyUVAUSNQMFWZRRF-PMPSAXMXSA-N
MW290.38 g/mol
LogP2.53
Rot. Bonds5

About cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 124740614) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID124740614
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Namecis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20-9-3-4-14(20)11-19-17(21)16-10-15(16)12-5-7-13(18)8-6-12/h5-8,14-16H,2-4,9-11H2,1H3,(H,19,21)/t14-,15+,16+/m1/s1
InChIKeyUVAUSNQMFWZRRF-PMPSAXMXSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71899768
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79383628
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511391
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 47465818
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 124740614) is cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UVAUSNQMFWZRRF-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-20-9-3-4-14(20)11-19-17(21)16-10-15(16)12-5-7-13(18)8-6-12/h5-8,14-16H,2-4,9-11H2,1H3,(H,19,21)/t14-,15+,16+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124740614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).