2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide

C18H17ClN2O2 — CID 2430048

IUPAC2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c19-15-7-3-2-6-14(15)18(23)20-11-9-17(22)21-12-10-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H,20,23)
InChIKeyWKIXGDLQQPTOOL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide

2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide (PubChem CID 2430048) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
PubChem CID2430048
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c19-15-7-3-2-6-14(15)18(23)20-11-9-17(22)21-12-10-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H,20,23)
InChIKeyWKIXGDLQQPTOOL-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 2115437
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(2-aminoethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119383530
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682463
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
N-(3-aminobutyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119496904
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)ethyl]benzamide
CID 146122881
N-(3-aminopropyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119406624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide (CID 2430048) is 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide?
The InChIKey is WKIXGDLQQPTOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-7-3-2-6-14(15)18(23)20-11-9-17(22)21-12-10-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H,20,23).
What are the key properties of 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide?
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 2430048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).