2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide

C21H23ClN2O2 — CID 53093940

IUPAC2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
SMILESCC(C)CC(=O)N1CCc2cc(CNC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C21H23ClN2O2/c1-14(2)11-20(25)24-10-9-16-12-15(7-8-19(16)24)13-23-21(26)17-5-3-4-6-18(17)22/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26)
InChIKeyMWGSAIRJJMLSKR-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide

2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide (PubChem CID 53093940) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
PubChem CID53093940
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
SMILESCC(C)CC(=O)N1CCc2cc(CNC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C21H23ClN2O2/c1-14(2)11-20(25)24-10-9-16-12-15(7-8-19(16)24)13-23-21(26)17-5-3-4-6-18(17)22/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26)
InChIKeyMWGSAIRJJMLSKR-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580111
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
CID 142580229
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide (CID 53093940) is 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide is CC(C)CC(=O)N1CCc2cc(CNC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The InChIKey is MWGSAIRJJMLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14(2)11-20(25)24-10-9-16-12-15(7-8-19(16)24)13-23-21(26)17-5-3-4-6-18(17)22/h3-8,12,14H,9-11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide is sourced from PubChem (CID 53093940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).