1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

C17H19FN2O3 — CID 51082657

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)Nc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O3/c1-22-11-13-5-3-12(4-6-13)10-19-17(21)20-14-7-8-16(23-2)15(18)9-14/h3-9H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyUOCUPXWVOHIWEV-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.30
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea (PubChem CID 51082657) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
PubChem CID51082657
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)Nc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O3/c1-22-11-13-5-3-12(4-6-13)10-19-17(21)20-14-7-8-16(23-2)15(18)9-14/h3-9H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyUOCUPXWVOHIWEV-UHFFFAOYSA-N
XLogP3.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
(2S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838410
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
(2S)-4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838409
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-(3-fluoro-4-methoxyphenyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111473785

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea (CID 51082657) is 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea is COCc1ccc(CNC(=O)Nc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is UOCUPXWVOHIWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-22-11-13-5-3-12(4-6-13)10-19-17(21)20-14-7-8-16(23-2)15(18)9-14/h3-9H,10-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 318.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 51082657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).