N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

C17H26Cl2FN3O — CID 119614467

IUPACN-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)C1CCCN1Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H24FN3O.2ClH/c18-14-7-3-12(4-8-14)11-21-9-1-2-16(21)17(22)20-15(10-19)13-5-6-13;;/h3-4,7-8,13,15-16H,1-2,5-6,9-11,19H2,(H,20,22);2*1H
InChIKeyCHIOSYSPCABYRS-UHFFFAOYSA-N
MW378.32 g/mol
LogP2.49
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119614467) has the molecular formula C17H26Cl2FN3O and a molecular weight of 378.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119614467
Molecular FormulaC17H26Cl2FN3O
Molecular Weight378.32 g/mol
Exact Mass377.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)C1CCCN1Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H24FN3O.2ClH/c18-14-7-3-12(4-8-14)11-21-9-1-2-16(21)17(22)20-15(10-19)13-5-6-13;;/h3-4,7-8,13,15-16H,1-2,5-6,9-11,19H2,(H,20,22);2*1H
InChIKeyCHIOSYSPCABYRS-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119602179
1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
CID 60615305
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
(2S)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 95971411
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 119548242
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 124779272
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
1-[(4-fluorophenyl)methyl]-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 136512095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119614467) is N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)C1CCCN1Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is CHIOSYSPCABYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O.2ClH/c18-14-7-3-12(4-8-14)11-21-9-1-2-16(21)17(22)20-15(10-19)13-5-6-13;;/h3-4,7-8,13,15-16H,1-2,5-6,9-11,19H2,(H,20,22);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 378.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119614467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).