N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide

C22H23FN2O2 — CID 127669517

IUPACN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide
SMILESO=C(NC1C2CCc3ccccc3C21)N1CC(O)CC1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c23-15-8-5-14(6-9-15)19-11-16(26)12-25(19)22(27)24-21-18-10-7-13-3-1-2-4-17(13)20(18)21/h1-6,8-9,16,18-21,26H,7,10-12H2,(H,24,27)
InChIKeyYWWRFWQKPIFMHY-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.37
Rot. Bonds2

About N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide (PubChem CID 127669517) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide
PubChem CID127669517
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide
SMILESO=C(NC1C2CCc3ccccc3C21)N1CC(O)CC1c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c23-15-8-5-14(6-9-15)19-11-16(26)12-25(19)22(27)24-21-18-10-7-13-3-1-2-4-17(13)20(18)21/h1-6,8-9,16,18-21,26H,7,10-12H2,(H,24,27)
InChIKeyYWWRFWQKPIFMHY-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 127622165
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-[4-(aminomethyl)triazol-1-yl]acetamide
CID 166301905
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012775
3-(2-fluorophenoxy)-1-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 128990138
[3-[[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]cyclobutyl] carbamate
CID 175199479
1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348463
4-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide
CID 129352211
1-[3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 100684120
1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-propylhexan-1-one
CID 129352053

Frequently Asked Questions

What is the IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide (CID 127669517) is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide is O=C(NC1C2CCc3ccccc3C21)N1CC(O)CC1c1ccc(F)cc1.
What is the InChIKey of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide?
The InChIKey is YWWRFWQKPIFMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-15-8-5-14(6-9-15)19-11-16(26)12-25(19)22(27)24-21-18-10-7-13-3-1-2-4-17(13)20(18)21/h1-6,8-9,16,18-21,26H,7,10-12H2,(H,24,27).
What are the key properties of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide?
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 127669517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).