4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide

C15H21F2N3O2 — CID 120597461

IUPAC4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CCN(c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N3O2/c1-22-11(8-18)7-14(21)19-10-5-6-20(9-10)15-12(16)3-2-4-13(15)17/h2-4,10-11H,5-9,18H2,1H3,(H,19,21)
InChIKeyJLBVEMXJVUAEFO-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.02
Rot. Bonds6

About 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide

4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide (PubChem CID 120597461) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
PubChem CID120597461
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CCN(c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N3O2/c1-22-11(8-18)7-14(21)19-10-5-6-20(9-10)15-12(16)3-2-4-13(15)17/h2-4,10-11H,5-9,18H2,1H3,(H,19,21)
InChIKeyJLBVEMXJVUAEFO-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
4-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120596472
(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
CID 119899434
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670573
4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 120588965
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378
1-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 100643274
tert-butyl N-[(3S)-1-(2-amino-6-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 53255939
tert-butyl N-[(3S)-1-[2-fluoro-6-(hydroxymethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 174408764
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide (CID 120597461) is 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide is COC(CN)CC(=O)NC1CCN(c2c(F)cccc2F)C1.
What is the InChIKey of 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide?
The InChIKey is JLBVEMXJVUAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-22-11(8-18)7-14(21)19-10-5-6-20(9-10)15-12(16)3-2-4-13(15)17/h2-4,10-11H,5-9,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide?
4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide has a molecular weight of 313.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide is sourced from PubChem (CID 120597461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).