2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide

C20H21ClFN3O — CID 30945646

IUPAC2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
SMILESCN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cn(C)c2ccccc12
InChIInChI=1S/C20H21ClFN3O/c1-24(2)18(14-12-25(3)17-10-5-4-7-13(14)17)11-23-20(26)19-15(21)8-6-9-16(19)22/h4-10,12,18H,11H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeySBWLNEJCHBKYSE-SFHVURJKSA-N
MW373.86 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide (PubChem CID 30945646) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
PubChem CID30945646
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
SMILESCN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cn(C)c2ccccc12
InChIInChI=1S/C20H21ClFN3O/c1-24(2)18(14-12-25(3)17-10-5-4-7-13(14)17)11-23-20(26)19-15(21)8-6-9-16(19)22/h4-10,12,18H,11H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeySBWLNEJCHBKYSE-SFHVURJKSA-N
XLogP4.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90490793
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
CID 45001704
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide (CID 30945646) is 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide is CN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cn(C)c2ccccc12.
What is the InChIKey of 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide?
The InChIKey is SBWLNEJCHBKYSE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c1-24(2)18(14-12-25(3)17-10-5-4-7-13(14)17)11-23-20(26)19-15(21)8-6-9-16(19)22/h4-10,12,18H,11H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide has a molecular weight of 373.86 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 30945646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).