1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea

C21H21FN2O2 — CID 24612610

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NC(C)c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C21H21FN2O2/c1-14(16-5-8-19(22)9-6-16)24-21(25)23-13-15-3-4-18-12-20(26-2)10-7-17(18)11-15/h3-12,14H,13H2,1-2H3,(H2,23,24,25)
InChIKeyMEMAYSQIPJEREA-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.55
Rot. Bonds5

About 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea

1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (PubChem CID 24612610) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
PubChem CID24612610
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NC(C)c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C21H21FN2O2/c1-14(16-5-8-19(22)9-6-16)24-21(25)23-13-15-3-4-18-12-20(26-2)10-7-17(18)11-15/h3-12,14H,13H2,1-2H3,(H2,23,24,25)
InChIKeyMEMAYSQIPJEREA-UHFFFAOYSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41438087
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
CID 51957419
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (CID 24612610) is 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is COc1ccc2cc(CNC(=O)NC(C)c3ccc(F)cc3)ccc2c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The InChIKey is MEMAYSQIPJEREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14(16-5-8-19(22)9-6-16)24-21(25)23-13-15-3-4-18-12-20(26-2)10-7-17(18)11-15/h3-12,14H,13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea has a molecular weight of 352.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is sourced from PubChem (CID 24612610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).