N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide

C23H28FN3O — CID 42802349

IUPACN-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCN(C)C)c3cccc(F)c3)c[nH]c12
InChIInChI=1S/C23H28FN3O/c1-4-16-7-6-10-19-21(15-26-23(16)19)20(17-8-5-9-18(24)13-17)14-22(28)25-11-12-27(2)3/h5-10,13,15,20,26H,4,11-12,14H2,1-3H3,(H,25,28)
InChIKeyQHZGNMKRPDTPBG-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide

N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide (PubChem CID 42802349) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
PubChem CID42802349
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCN(C)C)c3cccc(F)c3)c[nH]c12
InChIInChI=1S/C23H28FN3O/c1-4-16-7-6-10-19-21(15-26-23(16)19)20(17-8-5-9-18(24)13-17)14-22(28)25-11-12-27(2)3/h5-10,13,15,20,26H,4,11-12,14H2,1-3H3,(H,25,28)
InChIKeyQHZGNMKRPDTPBG-UHFFFAOYSA-N
XLogP4.07
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 93122362
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666875
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5059153
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500
3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
CID 42803805
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide (CID 42802349) is N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide is CCc1cccc2c(C(CC(=O)NCCN(C)C)c3cccc(F)c3)c[nH]c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide?
The InChIKey is QHZGNMKRPDTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-4-16-7-6-10-19-21(15-26-23(16)19)20(17-8-5-9-18(24)13-17)14-22(28)25-11-12-27(2)3/h5-10,13,15,20,26H,4,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide has a molecular weight of 381.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 42802349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).