1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea

C13H12BrFN2O2 — CID 47192722

IUPAC1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
SMILESCN(Cc1ccc(Br)o1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12BrFN2O2/c1-17(8-11-5-6-12(14)19-11)13(18)16-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyBXBQYKRJINVFGN-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.85
Rot. Bonds3

About 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea

1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea (PubChem CID 47192722) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
PubChem CID47192722
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
SMILESCN(Cc1ccc(Br)o1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12BrFN2O2/c1-17(8-11-5-6-12(14)19-11)13(18)16-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyBXBQYKRJINVFGN-UHFFFAOYSA-N
XLogP3.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47198462
N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
CID 86994844
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea (CID 47192722) is 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea is CN(Cc1ccc(Br)o1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
The InChIKey is BXBQYKRJINVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-17(8-11-5-6-12(14)19-11)13(18)16-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea?
1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea has a molecular weight of 327.15 g/mol, XLogP of 3.85, 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-(3-fluorophenyl)-1-methylurea is sourced from PubChem (CID 47192722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).