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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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).