3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide

C19H19BrN2O2 — CID 110358428

IUPAC3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)c3cccc(Br)c3)ccc21
InChIInChI=1S/C19H19BrN2O2/c1-12(2)19(24)22-9-8-13-11-16(6-7-17(13)22)21-18(23)14-4-3-5-15(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)
InChIKeyMEPMRHSLBXDPDZ-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.25
Rot. Bonds3

About 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide

3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide (PubChem CID 110358428) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
PubChem CID110358428
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)c3cccc(Br)c3)ccc21
InChIInChI=1S/C19H19BrN2O2/c1-12(2)19(24)22-9-8-13-11-16(6-7-17(13)22)21-18(23)14-4-3-5-15(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)
InChIKeyMEPMRHSLBXDPDZ-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736
2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358449
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
3-bromo-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930045
1-[10-(3-bromobenzoyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]-2-methylpropan-1-one
CID 133067306
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
CID 110609563
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide (CID 110358428) is 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide is CC(C)C(=O)N1CCc2cc(NC(=O)c3cccc(Br)c3)ccc21.
What is the InChIKey of 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The InChIKey is MEPMRHSLBXDPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12(2)19(24)22-9-8-13-11-16(6-7-17(13)22)21-18(23)14-4-3-5-15(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide has a molecular weight of 387.28 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide is sourced from PubChem (CID 110358428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).