N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C16H22ClFN2O2 — CID 119791096

IUPACN-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(C1CC(O)CN1)N(Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-5-3-12(4-6-13)10-19(9-11-1-2-11)16(21)15-7-14(20)8-18-15;/h3-6,11,14-15,18,20H,1-2,7-10H2;1H
InChIKeyBHRMZOOAZTVRAW-UHFFFAOYSA-N
MW328.81 g/mol
LogP1.71
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119791096) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119791096
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC NameN-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(C1CC(O)CN1)N(Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-5-3-12(4-6-13)10-19(9-11-1-2-11)16(21)15-7-14(20)8-18-15;/h3-6,11,14-15,18,20H,1-2,7-10H2;1H
InChIKeyBHRMZOOAZTVRAW-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 60937843
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119791088
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
(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
(2R,4S)-4-hydroxy-N,N-dipropylpyrrolidine-2-carboxamide;hydrochloride
CID 120552956
(2R,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370537
(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370536
N-(cyclohexylmethyl)-N-cyclopropyl-4-hydroxypyrrolidine-2-carboxamide
CID 54872867
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119791096) is N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(C1CC(O)CN1)N(Cc1ccc(F)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BHRMZOOAZTVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-13-5-3-12(4-6-13)10-19(9-11-1-2-11)16(21)15-7-14(20)8-18-15;/h3-6,11,14-15,18,20H,1-2,7-10H2;1H.
What are the key properties of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119791096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).