1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea

C15H17FN2O3 — CID 97106407

IUPAC1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESO=C(NCC[C@@H](O)c1ccoc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c16-13-3-1-11(2-4-13)9-18-15(20)17-7-5-14(19)12-6-8-21-10-12/h1-4,6,8,10,14,19H,5,7,9H2,(H2,17,18,20)/t14-/m1/s1
InChIKeyZVFZAGBKERTOFL-CQSZACIVSA-N
MW292.31 g/mol
LogP2.34
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea

1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea (PubChem CID 97106407) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
PubChem CID97106407
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESO=C(NCC[C@@H](O)c1ccoc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c16-13-3-1-11(2-4-13)9-18-15(20)17-7-5-14(19)12-6-8-21-10-12/h1-4,6,8,10,14,19H,5,7,9H2,(H2,17,18,20)/t14-/m1/s1
InChIKeyZVFZAGBKERTOFL-CQSZACIVSA-N
XLogP2.34
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106415
1-[(4-chlorophenyl)methyl]-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 71804506
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
(2S)-4-[(4-fluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838142
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986560
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97042999
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide
CID 71804442

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea (CID 97106407) is 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea is O=C(NCC[C@@H](O)c1ccoc1)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The InChIKey is ZVFZAGBKERTOFL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-3-1-11(2-4-13)9-18-15(20)17-7-5-14(19)12-6-8-21-10-12/h1-4,6,8,10,14,19H,5,7,9H2,(H2,17,18,20)/t14-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea has a molecular weight of 292.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea is sourced from PubChem (CID 97106407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).