[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone

C21H25FN2O — CID 50973621

IUPAC[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(Cc1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H25FN2O/c1-16(14-19-6-2-3-7-20(19)22)23-15-17-8-10-18(11-9-17)21(25)24-12-4-5-13-24/h2-3,6-11,16,23H,4-5,12-15H2,1H3
InChIKeyFJNHCJPHPCOGIL-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.78
Rot. Bonds6

About [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 50973621) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID50973621
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(Cc1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H25FN2O/c1-16(14-19-6-2-3-7-20(19)22)23-15-17-8-10-18(11-9-17)21(25)24-12-4-5-13-24/h2-3,6-11,16,23H,4-5,12-15H2,1H3
InChIKeyFJNHCJPHPCOGIL-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95135521
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
2-[1-(2-fluorophenyl)propan-2-ylamino]-1-piperidin-1-ylpropan-1-one
CID 114829382
[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95344993
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95284220
3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110616962
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
N-[[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]acetamide
CID 78850069
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 114828301
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 50973621) is [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone is CC(Cc1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FJNHCJPHPCOGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16(14-19-6-2-3-7-20(19)22)23-15-17-8-10-18(11-9-17)21(25)24-12-4-5-13-24/h2-3,6-11,16,23H,4-5,12-15H2,1H3.
What are the key properties of [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50973621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).