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

C20H20ClFN6O3 — CID 156698720

IUPAC(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
SMILESCN(C(=O)Oc1cnn(C)n1)C1CCc2c1cn(C)c2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H20ClFN6O3/c1-26-10-13-12(18(26)19(29)24-11-4-6-15(22)14(21)8-11)5-7-16(13)27(2)20(30)31-17-9-23-28(3)25-17/h4,6,8-10,16H,5,7H2,1-3H3,(H,24,29)
InChIKeyIIXAMZPFLFBHIZ-UHFFFAOYSA-N
MW446.87 g/mol
LogP3.32
Rot. Bonds4

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

(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate (PubChem CID 156698720) has the molecular formula C20H20ClFN6O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate.

Molecular Properties

Compound Name(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
PubChem CID156698720
Molecular FormulaC20H20ClFN6O3
Molecular Weight446.87 g/mol
Exact Mass446.13
IUPAC Name(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
SMILESCN(C(=O)Oc1cnn(C)n1)C1CCc2c1cn(C)c2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H20ClFN6O3/c1-26-10-13-12(18(26)19(29)24-11-4-6-15(22)14(21)8-11)5-7-16(13)27(2)20(30)31-17-9-23-28(3)25-17/h4,6,8-10,16H,5,7H2,1-3H3,(H,24,29)
InChIKeyIIXAMZPFLFBHIZ-UHFFFAOYSA-N
XLogP3.32
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(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
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
1-[[(6R)-3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamoyloxymethyl]-3,3-difluorocyclobutane-1-carboxylic acid
CID 175882203
1-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamoyloxymethyl]-3,3-difluorocyclobutane-1-carboxylic acid
CID 146309409
6-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;methane;pent-2-ynyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;pent-2-ynyl imidazole-1-carboxylate
CID 160814428
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide
CID 146309492
[(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)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519
[3-[(4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamic acid
CID 146309457

Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
The IUPAC name of (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) is (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate.
What is the SMILES notation for (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
The canonical SMILES for (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate is CN(C(=O)Oc1cnn(C)n1)C1CCc2c1cn(C)c2C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
The InChIKey is IIXAMZPFLFBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c1-26-10-13-12(18(26)19(29)24-11-4-6-15(22)14(21)8-11)5-7-16(13)27(2)20(30)31-17-9-23-28(3)25-17/h4,6,8-10,16H,5,7H2,1-3H3,(H,24,29).
What are the key properties of (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate?
(2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate has a molecular weight of 446.87 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltriazol-4-yl) N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-N-methylcarbamate is sourced from PubChem (CID 156698720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).