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

C19H21F2N3O — CID 120670573

IUPAC2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(c3c(F)cccc3F)C2)cc1
InChIInChI=1S/C19H21F2N3O/c1-12-5-7-13(8-6-12)17(22)19(25)23-14-9-10-24(11-14)18-15(20)3-2-4-16(18)21/h2-8,14,17H,9-11,22H2,1H3,(H,23,25)
InChIKeyWUNFJMKSTKIZGV-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.67
Rot. Bonds4

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

2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 120670573) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID120670573
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(c3c(F)cccc3F)C2)cc1
InChIInChI=1S/C19H21F2N3O/c1-12-5-7-13(8-6-12)17(22)19(25)23-14-9-10-24(11-14)18-15(20)3-2-4-16(18)21/h2-8,14,17H,9-11,22H2,1H3,(H,23,25)
InChIKeyWUNFJMKSTKIZGV-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
CID 119899434
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
CID 120597461
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
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide (CID 120670573) is 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NC2CCN(c3c(F)cccc3F)C2)cc1.
What is the InChIKey of 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is WUNFJMKSTKIZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-12-5-7-13(8-6-12)17(22)19(25)23-14-9-10-24(11-14)18-15(20)3-2-4-16(18)21/h2-8,14,17H,9-11,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide?
2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 345.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120670573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).