N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C15H19FN2O2 — CID 60937843

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(C1CC(O)CN1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H19FN2O2/c16-11-3-1-10(2-4-11)9-18(12-5-6-12)15(20)14-7-13(19)8-17-14/h1-4,12-14,17,19H,5-9H2
InChIKeyQWSDNYRZDKVLIJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.04
Rot. Bonds4

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 60937843) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID60937843
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(C1CC(O)CN1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H19FN2O2/c16-11-3-1-10(2-4-11)9-18(12-5-6-12)15(20)14-7-13(19)8-17-14/h1-4,12-14,17,19H,5-9H2
InChIKeyQWSDNYRZDKVLIJ-UHFFFAOYSA-N
XLogP1.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119791096
N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 54872068
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
N-(cyclohexylmethyl)-N-cyclopropyl-4-hydroxypyrrolidine-2-carboxamide
CID 54872867
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54871079
N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 54870885
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 60937843) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(C1CC(O)CN1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QWSDNYRZDKVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-11-3-1-10(2-4-11)9-18(12-5-6-12)15(20)14-7-13(19)8-17-14/h1-4,12-14,17,19H,5-9H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 60937843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).