1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea

C17H19FN2O2 — CID 24528941

IUPAC1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H19FN2O2/c1-3-20(12-13-7-6-8-14(18)11-13)17(21)19-15-9-4-5-10-16(15)22-2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyVESPJIDRGIODEE-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.89
Rot. Bonds5

About 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea

1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 24528941) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID24528941
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H19FN2O2/c1-3-20(12-13-7-6-8-14(18)11-13)17(21)19-15-9-4-5-10-16(15)22-2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyVESPJIDRGIODEE-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-fluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 38803128
1-[[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 42816112
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
CID 61011322
1-[[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]urea
CID 93307781
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703414
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 55484556
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27871672
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea (CID 24528941) is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea is CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1OC.
What is the InChIKey of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is VESPJIDRGIODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-20(12-13-7-6-8-14(18)11-13)17(21)19-15-9-4-5-10-16(15)22-2/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea?
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 302.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 24528941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).