(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide

C21H22FN3O2 — CID 146296940

IUPAC(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1ccc2cc(CNC(=O)N3CC[C@@H](Oc4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C21H22FN3O2/c1-24-10-8-16-12-15(2-7-20(16)24)13-23-21(26)25-11-9-19(14-25)27-18-5-3-17(22)4-6-18/h2-8,10,12,19H,9,11,13-14H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyPZOZKHDGLRRVMH-LJQANCHMSA-N
MW367.42 g/mol
LogP3.68
Rot. Bonds4

About (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide

(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 146296940) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID146296940
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1ccc2cc(CNC(=O)N3CC[C@@H](Oc4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C21H22FN3O2/c1-24-10-8-16-12-15(2-7-20(16)24)13-23-21(26)25-11-9-19(14-25)27-18-5-3-17(22)4-6-18/h2-8,10,12,19H,9,11,13-14H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyPZOZKHDGLRRVMH-LJQANCHMSA-N
XLogP3.68
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
6-fluoro-N-[(1-methylindol-5-yl)methyl]-4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxamide
CID 158861596
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
4-(4-fluorophenoxy)-N-(1-methylindol-7-yl)piperidine-1-carboxamide
CID 126794316
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 75503928

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 146296940) is (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide is Cn1ccc2cc(CNC(=O)N3CC[C@@H](Oc4ccc(F)cc4)C3)ccc21.
What is the InChIKey of (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is PZOZKHDGLRRVMH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-10-8-16-12-15(2-7-20(16)24)13-23-21(26)25-11-9-19(14-25)27-18-5-3-17(22)4-6-18/h2-8,10,12,19H,9,11,13-14H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146296940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).