3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide

C16H19ClFN3O — CID 68899600

IUPAC3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C(=O)N1CC=C(c2cc(Cl)ccc2F)C1)[C@@H]1CCNC1
InChIInChI=1S/C16H19ClFN3O/c1-20(13-4-6-19-9-13)16(22)21-7-5-11(10-21)14-8-12(17)2-3-15(14)18/h2-3,5,8,13,19H,4,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyIZEVDWNRERIOCI-CYBMUJFWSA-N
MW323.80 g/mol
LogP2.59
Rot. Bonds2

About 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide

3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide (PubChem CID 68899600) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide
PubChem CID68899600
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C(=O)N1CC=C(c2cc(Cl)ccc2F)C1)[C@@H]1CCNC1
InChIInChI=1S/C16H19ClFN3O/c1-20(13-4-6-19-9-13)16(22)21-7-5-11(10-21)14-8-12(17)2-3-15(14)18/h2-3,5,8,13,19H,4,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyIZEVDWNRERIOCI-CYBMUJFWSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide (CID 68899600) is 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide is CN(C(=O)N1CC=C(c2cc(Cl)ccc2F)C1)[C@@H]1CCNC1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is IZEVDWNRERIOCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-20(13-4-6-19-9-13)16(22)21-7-5-11(10-21)14-8-12(17)2-3-15(14)18/h2-3,5,8,13,19H,4,6-7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide?
3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 323.80 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 68899600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).