N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide

C14H18FN3O — CID 43596777

IUPACN-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCC1CC2CNCC2N1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-9-6-10-7-16-8-13(10)18(9)14(19)17-12-5-3-2-4-11(12)15/h2-5,9-10,13,16H,6-8H2,1H3,(H,17,19)
InChIKeyXGENEZGQSQRXBU-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.04
Rot. Bonds1

About N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide

N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (PubChem CID 43596777) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
PubChem CID43596777
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCC1CC2CNCC2N1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-9-6-10-7-16-8-13(10)18(9)14(19)17-12-5-3-2-4-11(12)15/h2-5,9-10,13,16H,6-8H2,1H3,(H,17,19)
InChIKeyXGENEZGQSQRXBU-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide 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

(2,6-difluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595615
(2-hydroxyphenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595524
N-cyclopropyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 62697979
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120663957
(4-chlorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595523
(3,5-difluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595623
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 66394785
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595621
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
CID 120663779
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (CID 43596777) is N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is CC1CC2CNCC2N1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The InChIKey is XGENEZGQSQRXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9-6-10-7-16-8-13(10)18(9)14(19)17-12-5-3-2-4-11(12)15/h2-5,9-10,13,16H,6-8H2,1H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is sourced from PubChem (CID 43596777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).