1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea

C15H21F2N3O2 — CID 119070737

IUPAC1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCc1cc(F)cc(F)c1)NCC(O)CN1CCCC1
InChIInChI=1S/C15H21F2N3O2/c16-12-5-11(6-13(17)7-12)8-18-15(22)19-9-14(21)10-20-3-1-2-4-20/h5-7,14,21H,1-4,8-10H2,(H2,18,19,22)
InChIKeyCJPMTDZDANZAAN-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.22
Rot. Bonds6

About 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea

1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea (PubChem CID 119070737) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
PubChem CID119070737
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCc1cc(F)cc(F)c1)NCC(O)CN1CCCC1
InChIInChI=1S/C15H21F2N3O2/c16-12-5-11(6-13(17)7-12)8-18-15(22)19-9-14(21)10-20-3-1-2-4-20/h5-7,14,21H,1-4,8-10H2,(H2,18,19,22)
InChIKeyCJPMTDZDANZAAN-UHFFFAOYSA-N
XLogP1.22
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94029380
1-[(3,5-difluorophenyl)methyl]-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 75369977
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
CID 107644260
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111413
1-(2-bromo-5-fluoroanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 107635655
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea (CID 119070737) is 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea is O=C(NCc1cc(F)cc(F)c1)NCC(O)CN1CCCC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is CJPMTDZDANZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c16-12-5-11(6-13(17)7-12)8-18-15(22)19-9-14(21)10-20-3-1-2-4-20/h5-7,14,21H,1-4,8-10H2,(H2,18,19,22).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 313.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 119070737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).