1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea

C17H15BrN2O2 — CID 78871745

IUPAC1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
SMILESCN(Cc1ccc(Br)o1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H15BrN2O2/c1-20(11-15-8-9-16(18)22-15)17(21)19-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,19,21)
InChIKeyJBUQHFBYLQUEKK-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.86
Rot. Bonds3

About 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea

1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea (PubChem CID 78871745) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
PubChem CID78871745
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
SMILESCN(Cc1ccc(Br)o1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H15BrN2O2/c1-20(11-15-8-9-16(18)22-15)17(21)19-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,19,21)
InChIKeyJBUQHFBYLQUEKK-UHFFFAOYSA-N
XLogP4.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47198462
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
CID 78871865
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-[2-(N-methylanilino)propyl]urea
CID 87005390
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea (CID 78871745) is 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea is CN(Cc1ccc(Br)o1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea?
The InChIKey is JBUQHFBYLQUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-20(11-15-8-9-16(18)22-15)17(21)19-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea?
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea has a molecular weight of 359.22 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea is sourced from PubChem (CID 78871745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).