tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate

C18H16Cl3FN2O2 — CID 163976337

IUPACtert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)c(Cl)c2c1[nH]c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C18H16Cl3FN2O2/c1-18(2,3)26-17(25)24(4)11-7-9(22)15(21)13-12-10(23-16(11)13)6-5-8(19)14(12)20/h5-7,23H,1-4H3
InChIKeySUMBFJGPEYJASG-UHFFFAOYSA-N
MW417.70 g/mol
LogP6.79
Rot. Bonds1

About tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate

tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate (PubChem CID 163976337) has the molecular formula C18H16Cl3FN2O2 and a molecular weight of 417.70 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate
PubChem CID163976337
Molecular FormulaC18H16Cl3FN2O2
Molecular Weight417.70 g/mol
Exact Mass416.03
IUPAC Nametert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)c(Cl)c2c1[nH]c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C18H16Cl3FN2O2/c1-18(2,3)26-17(25)24(4)11-7-9(22)15(21)13-12-10(23-16(11)13)6-5-8(19)14(12)20/h5-7,23H,1-4H3
InChIKeySUMBFJGPEYJASG-UHFFFAOYSA-N
XLogP6.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.70
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-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

Ethyl 6-chloro-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11234128
Ethyl 6-chloro-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888013
Ethyl 6-chloro-1-(3-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888344
Ethyl 6-chloro-1-(2-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888473
Ethyl 6-chloro-1-(2,3-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11749632
Propan-2-yl 6-chloro-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57887792
Propan-2-yl 6-chloro-1-(3-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57887831
Ethyl 6-chloro-1-(3,5-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57887986
Methyl 6-chloro-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888135
Methyl 6-chloro-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888318
Propyl 6-chloro-1-(3-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888331
Methyl 6-chloro-1-(3-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate (CID 163976337) is tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate is CN(C(=O)OC(C)(C)C)c1cc(F)c(Cl)c2c1[nH]c1ccc(Cl)c(Cl)c12.
What is the InChIKey of tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate?
The InChIKey is SUMBFJGPEYJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3FN2O2/c1-18(2,3)26-17(25)24(4)11-7-9(22)15(21)13-12-10(23-16(11)13)6-5-8(19)14(12)20/h5-7,23H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate?
tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate has a molecular weight of 417.70 g/mol, XLogP of 6.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4,5,6-trichloro-3-fluoro-9H-carbazol-1-yl)carbamate is sourced from PubChem (CID 163976337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).