1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea

C19H23FN2O2 — CID 134006438

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
SMILESCOCc1ccccc1CNC(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(15-8-10-18(20)11-9-15)22(2)19(23)21-12-16-6-4-5-7-17(16)13-24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyMAWQAUMBQYYOED-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.87
Rot. Bonds6

About 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea

1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea (PubChem CID 134006438) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
PubChem CID134006438
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
SMILESCOCc1ccccc1CNC(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(15-8-10-18(20)11-9-15)22(2)19(23)21-12-16-6-4-5-7-17(16)13-24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyMAWQAUMBQYYOED-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
3-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 33066011
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea
CID 55909962
3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 41096953
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51935301

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea (CID 134006438) is 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea is COCc1ccccc1CNC(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea?
The InChIKey is MAWQAUMBQYYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(15-8-10-18(20)11-9-15)22(2)19(23)21-12-16-6-4-5-7-17(16)13-24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea?
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea has a molecular weight of 330.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 134006438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).