1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea

C17H21FN2O3 — CID 97042999

IUPAC1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1cc([C@H](O)CCNC(=O)NCc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H21FN2O3/c1-11-9-15(12(2)23-11)16(21)7-8-19-17(22)20-10-13-3-5-14(18)6-4-13/h3-6,9,16,21H,7-8,10H2,1-2H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyICIWUIPVEJTREZ-MRXNPFEDSA-N
MW320.36 g/mol
LogP2.96
Rot. Bonds6

About 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea

1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 97042999) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID97042999
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1cc([C@H](O)CCNC(=O)NCc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H21FN2O3/c1-11-9-15(12(2)23-11)16(21)7-8-19-17(22)20-10-13-3-5-14(18)6-4-13/h3-6,9,16,21H,7-8,10H2,1-2H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyICIWUIPVEJTREZ-MRXNPFEDSA-N
XLogP2.96
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide
CID 121133292
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
(2S)-4-[(4-fluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838142
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97042843
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
CID 121133012
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 121133140

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea (CID 97042999) is 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea is Cc1cc([C@H](O)CCNC(=O)NCc2ccc(F)cc2)c(C)o1.
What is the InChIKey of 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is ICIWUIPVEJTREZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-9-15(12(2)23-11)16(21)7-8-19-17(22)20-10-13-3-5-14(18)6-4-13/h3-6,9,16,21H,7-8,10H2,1-2H3,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 320.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 97042999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).