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

C19H19Cl2N3O2 — CID 25359317

IUPAC(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C19H19Cl2N3O2/c1-11(19(26)23-17-9-14(20)8-15(21)10-17)22-16-3-4-18-13(7-16)5-6-24(18)12(2)25/h3-4,7-11,22H,5-6H2,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyCFGRDTMXFPCSRF-NSHDSACASA-N
MW392.29 g/mol
LogP4.34
Rot. Bonds4

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

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 25359317) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
PubChem CID25359317
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
SMILESCC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C19H19Cl2N3O2/c1-11(19(26)23-17-9-14(20)8-15(21)10-17)22-16-3-4-18-13(7-16)5-6-24(18)12(2)25/h3-4,7-11,22H,5-6H2,1-2H3,(H,23,26)/t11-/m0/s1
InChIKeyCFGRDTMXFPCSRF-NSHDSACASA-N
XLogP4.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.34
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-(3,4-difluorophenyl)propanamide
CID 25360343
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 25359721
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-(2-chloro-4-nitrophenyl)propanamide
CID 45281513
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
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-[(4-methylphenyl)methyl]propanamide
CID 25360569
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 62089817
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide (CID 25359317) is (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide is CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is CFGRDTMXFPCSRF-NSHDSACASA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11(19(26)23-17-9-14(20)8-15(21)10-17)22-16-3-4-18-13(7-16)5-6-24(18)12(2)25/h3-4,7-11,22H,5-6H2,1-2H3,(H,23,26)/t11-/m0/s1.
What are the key properties of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide?
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 392.29 g/mol, XLogP of 4.34, 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-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 25359317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).