1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

C15H19ClFN3O2 — CID 175158537

IUPAC1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)C1CN([C@H]2C[C@@H]2c2ccc(F)cc2)CC1C(N)=O
InChIInChI=1S/C15H18FN3O2.ClH/c16-9-3-1-8(2-4-9)10-5-13(10)19-6-11(14(17)20)12(7-19)15(18)21;/h1-4,10-13H,5-7H2,(H2,17,20)(H2,18,21);1H/t10-,11?,12?,13+;/m1./s1
InChIKeyJKBVXCHHRJJFQO-LZPJUUIGSA-N
MW327.79 g/mol
LogP0.62
Rot. Bonds4

About 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 175158537) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID175158537
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)C1CN([C@H]2C[C@@H]2c2ccc(F)cc2)CC1C(N)=O
InChIInChI=1S/C15H18FN3O2.ClH/c16-9-3-1-8(2-4-9)10-5-13(10)19-6-11(14(17)20)12(7-19)15(18)21;/h1-4,10-13H,5-7H2,(H2,17,20)(H2,18,21);1H/t10-,11?,12?,13+;/m1./s1
InChIKeyJKBVXCHHRJJFQO-LZPJUUIGSA-N
XLogP0.62
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 155250067
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 22885763
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
(3S,4R)-4-(4-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 138628333
N-(diaminomethylidene)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 54517711
(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 67732305
2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
CID 155143259
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (CID 175158537) is 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is Cl.NC(=O)C1CN([C@H]2C[C@@H]2c2ccc(F)cc2)CC1C(N)=O.
What is the InChIKey of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is JKBVXCHHRJJFQO-LZPJUUIGSA-N. The full InChI is InChI=1S/C15H18FN3O2.ClH/c16-9-3-1-8(2-4-9)10-5-13(10)19-6-11(14(17)20)12(7-19)15(18)21;/h1-4,10-13H,5-7H2,(H2,17,20)(H2,18,21);1H/t10-,11?,12?,13+;/m1./s1.
What are the key properties of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 327.79 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 175158537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).