5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

C22H21ClN2O3 — CID 16803269

IUPAC5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C22H21ClN2O3/c1-27-20-9-8-16(23)13-17(20)22(26)24-14-19(21-7-4-12-28-21)25-11-10-15-5-2-3-6-18(15)25/h2-9,12-13,19H,10-11,14H2,1H3,(H,24,26)
InChIKeyKRJUUSQDNPTUBR-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.48
Rot. Bonds6

About 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 16803269) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
PubChem CID16803269
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C22H21ClN2O3/c1-27-20-9-8-16(23)13-17(20)22(26)24-14-19(21-7-4-12-28-21)25-11-10-15-5-2-3-6-18(15)25/h2-9,12-13,19H,10-11,14H2,1H3,(H,24,26)
InChIKeyKRJUUSQDNPTUBR-UHFFFAOYSA-N
XLogP4.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 7178892
2-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525289
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525288
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 41180939
2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7178883
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
CID 7178943
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41180929
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 7525308

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (CID 16803269) is 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N1CCc2ccccc21.
What is the InChIKey of 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is KRJUUSQDNPTUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-20-9-8-16(23)13-17(20)22(26)24-14-19(21-7-4-12-28-21)25-11-10-15-5-2-3-6-18(15)25/h2-9,12-13,19H,10-11,14H2,1H3,(H,24,26).
What are the key properties of 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 396.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 16803269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).