1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

C15H21FN2O3 — CID 110936095

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2(O)CCOCC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-11-2-3-12(8-13(11)16)9-17-14(19)18-10-15(20)4-6-21-7-5-15/h2-3,8,20H,4-7,9-10H2,1H3,(H2,17,18,19)
InChIKeyRWUHOYIQVQLKHM-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936095) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936095
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2(O)CCOCC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-11-2-3-12(8-13(11)16)9-17-14(19)18-10-15(20)4-6-21-7-5-15/h2-3,8,20H,4-7,9-10H2,1H3,(H2,17,18,19)
InChIKeyRWUHOYIQVQLKHM-UHFFFAOYSA-N
XLogP1.47
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
1-[(4-bromophenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111106655
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111439162
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 110936098
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
CID 30886416
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111487059

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936095) is 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is Cc1ccc(CNC(=O)NCC2(O)CCOCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is RWUHOYIQVQLKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11-2-3-12(8-13(11)16)9-17-14(19)18-10-15(20)4-6-21-7-5-15/h2-3,8,20H,4-7,9-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 296.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).