1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea

C14H19FN2O2 — CID 118790983

IUPAC1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCC2CCCOC2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-10-7-12(4-5-13(10)15)17-14(18)16-8-11-3-2-6-19-9-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,17,18)
InChIKeyYQFIOXPPFDPUAZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.68
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea

1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea (PubChem CID 118790983) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea
PubChem CID118790983
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCC2CCCOC2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-10-7-12(4-5-13(10)15)17-14(18)16-8-11-3-2-6-19-9-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,17,18)
InChIKeyYQFIOXPPFDPUAZ-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-methyl-3-[[(3S)-oxan-3-yl]methylcarbamoylamino]phenyl]butanamide
CID 126440793
1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea
CID 126769025
1-(azepan-2-ylmethyl)-3-(4-fluoro-3-methylphenyl)urea
CID 118778659
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea
CID 118776151
5-(cyclobutylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61199881
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
1-(3-fluoro-4-methylphenyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 165429682

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea (CID 118790983) is 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea is Cc1cc(NC(=O)NCC2CCCOC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea?
The InChIKey is YQFIOXPPFDPUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-7-12(4-5-13(10)15)17-14(18)16-8-11-3-2-6-19-9-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea?
1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 118790983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).