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

C20H19ClN2O2 — CID 46699791

IUPAC1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCc3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C20H19ClN2O2/c1-25-19-9-6-16-10-15(2-5-17(16)11-19)13-23-20(24)22-12-14-3-7-18(21)8-4-14/h2-11H,12-13H2,1H3,(H2,22,23,24)
InChIKeyFGXCCVTWUNGWBK-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.50
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (PubChem CID 46699791) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
PubChem CID46699791
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCc3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C20H19ClN2O2/c1-25-19-9-6-16-10-15(2-5-17(16)11-19)13-23-20(24)22-12-14-3-7-18(21)8-4-14/h2-11H,12-13H2,1H3,(H2,22,23,24)
InChIKeyFGXCCVTWUNGWBK-UHFFFAOYSA-N
XLogP4.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 24612073
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46699697
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826090

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea (CID 46699791) is 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is COc1ccc2cc(CNC(=O)NCc3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The InChIKey is FGXCCVTWUNGWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-25-19-9-6-16-10-15(2-5-17(16)11-19)13-23-20(24)22-12-14-3-7-18(21)8-4-14/h2-11H,12-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea has a molecular weight of 354.84 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea is sourced from PubChem (CID 46699791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).