2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate

C19H17Cl2FN6O3 — CID 156698751

IUPAC2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate
SMILESCN(C(=O)Oc1cn[nH]n1)C1CCc2c1c(Cl)n(C)c2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN6O3/c1-27(19(30)31-14-8-23-26-25-14)13-6-4-10-15(13)17(21)28(2)16(10)18(29)24-9-3-5-12(22)11(20)7-9/h3,5,7-8,13H,4,6H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyCBJOMCDNRPBHTL-UHFFFAOYSA-N
MW467.29 g/mol
LogP3.96
Rot. Bonds4

About 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate

2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate (PubChem CID 156698751) has the molecular formula C19H17Cl2FN6O3 and a molecular weight of 467.29 g/mol. Its IUPAC name is 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Name2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate
PubChem CID156698751
Molecular FormulaC19H17Cl2FN6O3
Molecular Weight467.29 g/mol
Exact Mass466.07
IUPAC Name2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate
SMILESCN(C(=O)Oc1cn[nH]n1)C1CCc2c1c(Cl)n(C)c2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN6O3/c1-27(19(30)31-14-8-23-26-25-14)13-6-4-10-15(13)17(21)28(2)16(10)18(29)24-9-3-5-12(22)11(20)7-9/h3,5,7-8,13H,4,6H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyCBJOMCDNRPBHTL-UHFFFAOYSA-N
XLogP3.96
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.29
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
CID 156698720
(2-methyltetrazol-5-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
CID 156698717
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide
CID 146309492
(1-methyl-1,2,4-triazol-3-yl) N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-yl]-N-methylcarbamate
CID 156698722
[(2S)-6-oxopiperidin-2-yl] N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
CID 175444814
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate
CID 159423211
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
5-chloro-N-(3-chloro-4-fluorophenyl)-4-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-chloro-4-fluorophenyl)-4-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide
CID 160686497
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
N-(3-chloro-4-fluorophenyl)-4-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclopentyl]amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide
CID 154685530

Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate?
The IUPAC name of 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate (CID 156698751) is 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate.
What is the SMILES notation for 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate?
The canonical SMILES for 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate is CN(C(=O)Oc1cn[nH]n1)C1CCc2c1c(Cl)n(C)c2C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate?
The InChIKey is CBJOMCDNRPBHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN6O3/c1-27(19(30)31-14-8-23-26-25-14)13-6-4-10-15(13)17(21)28(2)16(10)18(29)24-9-3-5-12(22)11(20)7-9/h3,5,7-8,13H,4,6H2,1-2H3,(H,24,29)(H,23,25,26).
What are the key properties of 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate?
2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate has a molecular weight of 467.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate is sourced from PubChem (CID 156698751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).