N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide

C18H25FN2O — CID 89160688

IUPACN-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide
SMILESC=C(C(NC(=O)CC)C(C)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C18H25FN2O/c1-4-17(22)20-18(14(3)21-11-5-6-12-21)13(2)15-7-9-16(19)10-8-15/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,20,22)
InChIKeyMQHOFGRFXIGQQQ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.43
Rot. Bonds6

About N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide

N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide (PubChem CID 89160688) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide
PubChem CID89160688
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide
SMILESC=C(C(NC(=O)CC)C(C)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C18H25FN2O/c1-4-17(22)20-18(14(3)21-11-5-6-12-21)13(2)15-7-9-16(19)10-8-15/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,20,22)
InChIKeyMQHOFGRFXIGQQQ-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide (CID 89160688) is N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide is C=C(C(NC(=O)CC)C(C)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide?
The InChIKey is MQHOFGRFXIGQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-4-17(22)20-18(14(3)21-11-5-6-12-21)13(2)15-7-9-16(19)10-8-15/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide?
N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide has a molecular weight of 304.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-2-pyrrolidin-1-ylpent-1-en-3-yl]propanamide is sourced from PubChem (CID 89160688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).