(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C20H22FN3O2 — CID 25483651

IUPAC(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCC(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1F
InChIInChI=1S/C20H22FN3O2/c1-12(22-17-8-9-18(21)19(11-17)23-13(2)25)20(26)24-16-7-6-14-4-3-5-15(14)10-16/h6-12,22H,3-5H2,1-2H3,(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyZOZULOVNHURFQG-GFCCVEGCSA-N
MW355.41 g/mol
LogP3.71
Rot. Bonds5

About (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 25483651) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID25483651
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCC(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1F
InChIInChI=1S/C20H22FN3O2/c1-12(22-17-8-9-18(21)19(11-17)23-13(2)25)20(26)24-16-7-6-14-4-3-5-15(14)10-16/h6-12,22H,3-5H2,1-2H3,(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyZOZULOVNHURFQG-GFCCVEGCSA-N
XLogP3.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(4-nitrophenyl)propanamide
CID 25408377
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide
CID 37310616
N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 45354771
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 25483651) is (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is CC(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1F.
What is the InChIKey of (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is ZOZULOVNHURFQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-12(22-17-8-9-18(21)19(11-17)23-13(2)25)20(26)24-16-7-6-14-4-3-5-15(14)10-16/h6-12,22H,3-5H2,1-2H3,(H,23,25)(H,24,26)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
(2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 355.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetamido-4-fluoroanilino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 25483651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).