1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

C19H26FN3O2 — CID 3219616

IUPAC1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-16-10-5-4-7-14(16)13-21-18(24)17-11-6-12-23(17)19(25)22-15-8-2-1-3-9-15/h4-5,7,10,15,17H,1-3,6,8-9,11-13H2,(H,21,24)(H,22,25)
InChIKeyCFSXZZINHOYATD-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.95
Rot. Bonds4

About 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3219616) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3219616
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-16-10-5-4-7-14(16)13-21-18(24)17-11-6-12-23(17)19(25)22-15-8-2-1-3-9-15/h4-5,7,10,15,17H,1-3,6,8-9,11-13H2,(H,21,24)(H,22,25)
InChIKeyCFSXZZINHOYATD-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 3219616) is 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1F)C1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is CFSXZZINHOYATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-10-5-4-7-14(16)13-21-18(24)17-11-6-12-23(17)19(25)22-15-8-2-1-3-9-15/h4-5,7,10,15,17H,1-3,6,8-9,11-13H2,(H,21,24)(H,22,25).
What are the key properties of 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).