1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea

C14H14BrFN2O2 — CID 47198462

IUPAC1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
SMILESCc1cc(F)ccc1NC(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H14BrFN2O2/c1-9-7-10(16)3-5-12(9)17-14(19)18(2)8-11-4-6-13(15)20-11/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyQSLFWSURYDAIII-UHFFFAOYSA-N
MW341.18 g/mol
LogP4.15
Rot. Bonds3

About 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea

1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea (PubChem CID 47198462) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
PubChem CID47198462
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
SMILESCc1cc(F)ccc1NC(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C14H14BrFN2O2/c1-9-7-10(16)3-5-12(9)17-14(19)18(2)8-11-4-6-13(15)20-11/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyQSLFWSURYDAIII-UHFFFAOYSA-N
XLogP4.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 54.15
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
N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
CID 86994844
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
3-(2-bromo-4-fluorophenyl)-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 55747939
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62821454
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea (CID 47198462) is 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea is Cc1cc(F)ccc1NC(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea?
The InChIKey is QSLFWSURYDAIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-9-7-10(16)3-5-12(9)17-14(19)18(2)8-11-4-6-13(15)20-11/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea?
1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea has a molecular weight of 341.18 g/mol, XLogP of 4.15, 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]-3-(4-fluoro-2-methylphenyl)-1-methylurea is sourced from PubChem (CID 47198462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).