N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide

C21H26FN3O2 — CID 95058313

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(CCC(=O)N2CCCC2)cn1C)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O2/c1-15(17-6-8-18(22)9-7-17)23-21(27)19-13-16(14-24(19)2)5-10-20(26)25-11-3-4-12-25/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyYVCDOABYWCEANT-OAHLLOKOSA-N
MW371.46 g/mol
LogP3.21
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide (PubChem CID 95058313) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
PubChem CID95058313
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(CCC(=O)N2CCCC2)cn1C)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O2/c1-15(17-6-8-18(22)9-7-17)23-21(27)19-13-16(14-24(19)2)5-10-20(26)25-11-3-4-12-25/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyYVCDOABYWCEANT-OAHLLOKOSA-N
XLogP3.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 18102046
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
1-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797362
4-bromo-N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698404
4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 154837440
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7915867
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698295

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide (CID 95058313) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide is C[C@@H](NC(=O)c1cc(CCC(=O)N2CCCC2)cn1C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is YVCDOABYWCEANT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15(17-6-8-18(22)9-7-17)23-21(27)19-13-16(14-24(19)2)5-10-20(26)25-11-3-4-12-25/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 95058313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).