N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide

C23H21N3O2 — CID 54839150

IUPACN-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NCC(=O)N2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C23H21N3O2/c27-22(26-14-13-17-7-4-5-12-21(17)26)16-24-19-10-6-11-20(15-19)25-23(28)18-8-2-1-3-9-18/h1-12,15,24H,13-14,16H2,(H,25,28)
InChIKeyMCICEAARCWWTPE-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.94
Rot. Bonds5

About N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54839150) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54839150
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NCC(=O)N2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C23H21N3O2/c27-22(26-14-13-17-7-4-5-12-21(17)26)16-24-19-10-6-11-20(15-19)25-23(28)18-8-2-1-3-9-18/h1-12,15,24H,13-14,16H2,(H,25,28)
InChIKeyMCICEAARCWWTPE-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841691
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842688
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
CID 54836679
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide (CID 54839150) is N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide is O=C(Nc1cccc(NCC(=O)N2CCc3ccccc32)c1)c1ccccc1.
What is the InChIKey of N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is MCICEAARCWWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-22(26-14-13-17-7-4-5-12-21(17)26)16-24-19-10-6-11-20(15-19)25-23(28)18-8-2-1-3-9-18/h1-12,15,24H,13-14,16H2,(H,25,28).
What are the key properties of N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).