1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea

C19H17BrN2O2 — CID 146022095

IUPAC1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc3c(Br)cccc3c2)cc1
InChIInChI=1S/C19H17BrN2O2/c1-24-16-8-5-13(6-9-16)12-21-19(23)22-15-7-10-17-14(11-15)3-2-4-18(17)20/h2-11H,12H2,1H3,(H2,21,22,23)
InChIKeyPFRBKKZMOAOXRY-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.93
Rot. Bonds4

About 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea

1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 146022095) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID146022095
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc3c(Br)cccc3c2)cc1
InChIInChI=1S/C19H17BrN2O2/c1-24-16-8-5-13(6-9-16)12-21-19(23)22-15-7-10-17-14(11-15)3-2-4-18(17)20/h2-11H,12H2,1H3,(H2,21,22,23)
InChIKeyPFRBKKZMOAOXRY-UHFFFAOYSA-N
XLogP4.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(5-bromonaphthalen-2-yl)-3-methylurea
CID 146021922
1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 142269407
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[(4-bromophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866786
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea (CID 146022095) is 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc3c(Br)cccc3c2)cc1.
What is the InChIKey of 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is PFRBKKZMOAOXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-24-16-8-5-13(6-9-16)12-21-19(23)22-15-7-10-17-14(11-15)3-2-4-18(17)20/h2-11H,12H2,1H3,(H2,21,22,23).
What are the key properties of 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea?
1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 385.26 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromonaphthalen-2-yl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 146022095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).