N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C18H25FN2O3 — CID 75397395

IUPACN-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C18H25FN2O3/c1-18(2,23)16-4-3-9-21(16)17(22)20-14-8-7-13(19)10-15(14)24-11-12-5-6-12/h7-8,10,12,16,23H,3-6,9,11H2,1-2H3,(H,20,22)
InChIKeyRWAAQIZTMYIHFP-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75397395) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID75397395
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C18H25FN2O3/c1-18(2,23)16-4-3-9-21(16)17(22)20-14-8-7-13(19)10-15(14)24-11-12-5-6-12/h7-8,10,12,16,23H,3-6,9,11H2,1-2H3,(H,20,22)
InChIKeyRWAAQIZTMYIHFP-UHFFFAOYSA-N
XLogP3.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453687
(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340327
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126788566
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 75512190
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
tert-butyl (2S)-1-[(2,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 75382009
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75517615
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969771
tert-butyl (2S)-1-[(4-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 71914636
(2R)-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306073

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 75397395) is N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is CC(C)(O)C1CCCN1C(=O)Nc1ccc(F)cc1OCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is RWAAQIZTMYIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,23)16-4-3-9-21(16)17(22)20-14-8-7-13(19)10-15(14)24-11-12-5-6-12/h7-8,10,12,16,23H,3-6,9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75397395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).