N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide

C19H25FN2O — CID 138716390

IUPACN-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide
SMILESCCC(CC)(C(=O)NC1CC1)[C@H]1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C19H25FN2O/c1-3-19(4-2,18(23)21-15-8-9-15)17-11-10-16(22-17)13-6-5-7-14(20)12-13/h5-7,12,15,17H,3-4,8-11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyQEPYJOWSRYUXPU-QGZVFWFLSA-N
MW316.42 g/mol
LogP3.86
Rot. Bonds6

About N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide

N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide (PubChem CID 138716390) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide
PubChem CID138716390
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC NameN-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide
SMILESCCC(CC)(C(=O)NC1CC1)[C@H]1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C19H25FN2O/c1-3-19(4-2,18(23)21-15-8-9-15)17-11-10-16(22-17)13-6-5-7-14(20)12-13/h5-7,12,15,17H,3-4,8-11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyQEPYJOWSRYUXPU-QGZVFWFLSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
The IUPAC name of N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide (CID 138716390) is N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide is CCC(CC)(C(=O)NC1CC1)[C@H]1CCC(c2cccc(F)c2)=N1.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
The InChIKey is QEPYJOWSRYUXPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-3-19(4-2,18(23)21-15-8-9-15)17-11-10-16(22-17)13-6-5-7-14(20)12-13/h5-7,12,15,17H,3-4,8-11H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide?
N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide has a molecular weight of 316.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]butanamide is sourced from PubChem (CID 138716390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).