2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide

C21H18ClFN2O2 — CID 7178943

IUPAC2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C21H18ClFN2O2/c22-15-6-3-7-16(23)20(15)21(26)24-13-18(19-9-4-12-27-19)25-11-10-14-5-1-2-8-17(14)25/h1-9,12,18H,10-11,13H2,(H,24,26)/t18-/m0/s1
InChIKeyYUTULEYJOSCVLO-SFHVURJKSA-N
MW384.84 g/mol
LogP4.61
Rot. Bonds5

About 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide (PubChem CID 7178943) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
PubChem CID7178943
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C21H18ClFN2O2/c22-15-6-3-7-16(23)20(15)21(26)24-13-18(19-9-4-12-27-19)25-11-10-14-5-1-2-8-17(14)25/h1-9,12,18H,10-11,13H2,(H,24,26)/t18-/m0/s1
InChIKeyYUTULEYJOSCVLO-SFHVURJKSA-N
XLogP4.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7178883
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 16803269
N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41180929
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide (CID 7178943) is 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide is O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
The InChIKey is YUTULEYJOSCVLO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c22-15-6-3-7-16(23)20(15)21(26)24-13-18(19-9-4-12-27-19)25-11-10-14-5-1-2-8-17(14)25/h1-9,12,18H,10-11,13H2,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide has a molecular weight of 384.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 7178943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).