(4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone

C21H22FNO3 — CID 166371348

IUPAC(4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone
SMILESCOc1cc(OC2CC2)ccc1C(=O)N1CC(F)CC1c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-25-20-12-17(26-16-7-8-16)9-10-18(20)21(24)23-13-15(22)11-19(23)14-5-3-2-4-6-14/h2-6,9-10,12,15-16,19H,7-8,11,13H2,1H3
InChIKeyXZAGQVICTLBZBJ-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.16
Rot. Bonds5

About (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone

(4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone (PubChem CID 166371348) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone
PubChem CID166371348
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name(4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone
SMILESCOc1cc(OC2CC2)ccc1C(=O)N1CC(F)CC1c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-25-20-12-17(26-16-7-8-16)9-10-18(20)21(24)23-13-15(22)11-19(23)14-5-3-2-4-6-14/h2-6,9-10,12,15-16,19H,7-8,11,13H2,1H3
InChIKeyXZAGQVICTLBZBJ-UHFFFAOYSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride
CID 18914181
methyl 1-(2,4-dimethoxybenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620311
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473871
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
CID 53184800
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
CID 46069307
(5R)-4-(2,4-dimethoxybenzoyl)-7-fluoro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2160184
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 155873161

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone (CID 166371348) is (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone is COc1cc(OC2CC2)ccc1C(=O)N1CC(F)CC1c1ccccc1.
What is the InChIKey of (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is XZAGQVICTLBZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-25-20-12-17(26-16-7-8-16)9-10-18(20)21(24)23-13-15(22)11-19(23)14-5-3-2-4-6-14/h2-6,9-10,12,15-16,19H,7-8,11,13H2,1H3.
What are the key properties of (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone?
(4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 355.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxy-2-methoxyphenyl)-(4-fluoro-2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166371348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).