N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C18H20ClFN2O3 — CID 119739957

IUPACN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CC(O)CN1
InChIInChI=1S/C18H19FN2O3.ClH/c19-13-4-1-3-12(7-13)11-24-16-6-2-5-14(8-16)21-18(23)17-9-15(22)10-20-17;/h1-8,15,17,20,22H,9-11H2,(H,21,23);1H
InChIKeyQXJHCYZSRDJWGA-UHFFFAOYSA-N
MW366.82 g/mol
LogP2.49
Rot. Bonds5

About N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119739957) has the molecular formula C18H20ClFN2O3 and a molecular weight of 366.82 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119739957
Molecular FormulaC18H20ClFN2O3
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CC(O)CN1
InChIInChI=1S/C18H19FN2O3.ClH/c19-13-4-1-3-12(7-13)11-24-16-6-2-5-14(8-16)21-18(23)17-9-15(22)10-20-17;/h1-8,15,17,20,22H,9-11H2,(H,21,23);1H
InChIKeyQXJHCYZSRDJWGA-UHFFFAOYSA-N
XLogP2.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 119739954
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
(2R,3S)-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120926492
4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 22458586
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741551
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119739957) is N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CC(O)CN1.
What is the InChIKey of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QXJHCYZSRDJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3.ClH/c19-13-4-1-3-12(7-13)11-24-16-6-2-5-14(8-16)21-18(23)17-9-15(22)10-20-17;/h1-8,15,17,20,22H,9-11H2,(H,21,23);1H.
What are the key properties of N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 366.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119739957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).