tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate

C20H20ClFN2O2 — CID 70564826

IUPACtert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)cc2c1ccn2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-20(2,3)26-19(25)23-17-10-15(22)11-18-16(17)8-9-24(18)12-13-4-6-14(21)7-5-13/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyUTVNYPXUPHLKQO-UHFFFAOYSA-N
MW374.84 g/mol
LogP5.83
Rot. Bonds3

About tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate

tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate (PubChem CID 70564826) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate
PubChem CID70564826
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Nametert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)cc2c1ccn2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-20(2,3)26-19(25)23-17-10-15(22)11-18-16(17)8-9-24(18)12-13-4-6-14(21)7-5-13/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyUTVNYPXUPHLKQO-UHFFFAOYSA-N
XLogP5.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.84
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768220
3-[(4-chlorophenyl)methyl]-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10026337
Methyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylamino]acetate
CID 52951231
ethyl (2E)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6880922
ethyl (2E)-2-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6883714
Tert-butyl 3-[[(4-chlorophenyl)carbamothioylamino]methyl]indole-1-carboxylate
CID 72204766
N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)ethanamine
CID 127030658
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-chloro-1H-indol-3-yl)ethyl]carbamate
CID 54584699
tert-butyl N-(1H-indol-6-yl)carbamate
CID 40425153
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methylindol-1-yl)propanamide
CID 2810125
1-(3-chloro-4-fluorophenyl)-3-(1-methyl-1H-indol-3-yl)urea
CID 18582345
1-(3-chloro-4-fluorophenyl)-3-(1-(2-methoxyethyl)-1H-indol-3-yl)urea
CID 18582494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate (CID 70564826) is tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(F)cc2c1ccn2Cc1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate?
The InChIKey is UTVNYPXUPHLKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-20(2,3)26-19(25)23-17-10-15(22)11-18-16(17)8-9-24(18)12-13-4-6-14(21)7-5-13/h4-11H,12H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate?
tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate has a molecular weight of 374.84 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]carbamate is sourced from PubChem (CID 70564826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).