1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea

C21H20F2N2O2 — CID 41438087

IUPAC1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C21H20F2N2O2/c1-13(19-8-6-17(22)11-20(19)23)25-21(26)24-12-14-3-4-16-10-18(27-2)7-5-15(16)9-14/h3-11,13H,12H2,1-2H3,(H2,24,25,26)/t13-/m0/s1
InChIKeyABNWXLDKXIYUTK-ZDUSSCGKSA-N
MW370.40 g/mol
LogP4.69
Rot. Bonds5

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

1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (PubChem CID 41438087) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
PubChem CID41438087
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C21H20F2N2O2/c1-13(19-8-6-17(22)11-20(19)23)25-21(26)24-12-14-3-4-16-10-18(27-2)7-5-15(16)9-14/h3-11,13H,12H2,1-2H3,(H2,24,25,26)/t13-/m0/s1
InChIKeyABNWXLDKXIYUTK-ZDUSSCGKSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea with MolForge

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 9440470
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 24598993
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875310
(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
CID 51957419
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (CID 41438087) is 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2c1.
What is the InChIKey of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The InChIKey is ABNWXLDKXIYUTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-13(19-8-6-17(22)11-20(19)23)25-21(26)24-12-14-3-4-16-10-18(27-2)7-5-15(16)9-14/h3-11,13H,12H2,1-2H3,(H2,24,25,26)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea has a molecular weight of 370.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is sourced from PubChem (CID 41438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).