1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

C18H21FN2O2 — CID 3856338

IUPAC1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccc(CCNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-2-23-17-9-5-14(6-10-17)11-12-20-18(22)21-13-15-3-7-16(19)8-4-15/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeySUMKYIQZWGHETF-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.27
Rot. Bonds7

About 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 3856338) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID3856338
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccc(CCNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-2-23-17-9-5-14(6-10-17)11-12-20-18(22)21-13-15-3-7-16(19)8-4-15/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeySUMKYIQZWGHETF-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884611
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (CID 3856338) is 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is CCOc1ccc(CCNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is SUMKYIQZWGHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-23-17-9-5-14(6-10-17)11-12-20-18(22)21-13-15-3-7-16(19)8-4-15/h3-10H,2,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 3856338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).