N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide

C19H26FN3O2 — CID 72882239

IUPACN-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)CN(C)Cc2ccccc2F)C[C@@H]1C1CC1
InChIInChI=1S/C19H26FN3O2/c1-13(24)21-18-11-23(10-16(18)14-7-8-14)19(25)12-22(2)9-15-5-3-4-6-17(15)20/h3-6,14,16,18H,7-12H2,1-2H3,(H,21,24)/t16-,18+/m1/s1
InChIKeyKSARHBWDUCOEDT-AEFFLSMTSA-N
MW347.43 g/mol
LogP1.63
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide

N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 72882239) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide
PubChem CID72882239
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)CN(C)Cc2ccccc2F)C[C@@H]1C1CC1
InChIInChI=1S/C19H26FN3O2/c1-13(24)21-18-11-23(10-16(18)14-7-8-14)19(25)12-22(2)9-15-5-3-4-6-17(15)20/h3-6,14,16,18H,7-12H2,1-2H3,(H,21,24)/t16-,18+/m1/s1
InChIKeyKSARHBWDUCOEDT-AEFFLSMTSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777
(2S,4R)-4-(dimethylamino)-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 118784551
2-[(2-fluorophenyl)methyl-methylamino]-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 157012890
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
1-[(1S,4R,9S,10R)-3-acetyl-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 110141679
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 91765336
1-[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-fluorophenyl)ethanone
CID 110139114
propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
CID 54940308
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide (CID 72882239) is N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN(C(=O)CN(C)Cc2ccccc2F)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is KSARHBWDUCOEDT-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(24)21-18-11-23(10-16(18)14-7-8-14)19(25)12-22(2)9-15-5-3-4-6-17(15)20/h3-6,14,16,18H,7-12H2,1-2H3,(H,21,24)/t16-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide?
N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72882239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).