(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide

C19H19F2N3O2 — CID 25360343

IUPAC(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H19F2N3O2/c1-11(19(26)23-15-3-5-16(20)17(21)10-15)22-14-4-6-18-13(9-14)7-8-24(18)12(2)25/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyGAYDJUBIRMJRBE-NSHDSACASA-N
MW359.38 g/mol
LogP3.31
Rot. Bonds4

About (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 25360343) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
PubChem CID25360343
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H19F2N3O2/c1-11(19(26)23-15-3-5-16(20)17(21)10-15)22-14-4-6-18-13(9-14)7-8-24(18)12(2)25/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyGAYDJUBIRMJRBE-NSHDSACASA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 45355470
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 25359721
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(2-chloro-4-nitrophenyl)propanamide
CID 45281513
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide (CID 25360343) is (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide is CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is GAYDJUBIRMJRBE-NSHDSACASA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11(19(26)23-15-3-5-16(20)17(21)10-15)22-14-4-6-18-13(9-14)7-8-24(18)12(2)25/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,26)/t11-/m0/s1.
What are the key properties of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide?
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 359.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 25360343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).