1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea

C9H13FN2O2 — CID 25119845

IUPAC1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCCF)o1
InChIInChI=1S/C9H13FN2O2/c1-7-2-3-8(14-7)6-12-9(13)11-5-4-10/h2-3H,4-6H2,1H3,(H2,11,12,13)
InChIKeyVNCAKMLXWLUQQC-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.36
Rot. Bonds4

About 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea

1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 25119845) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea
PubChem CID25119845
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCCF)o1
InChIInChI=1S/C9H13FN2O2/c1-7-2-3-8(14-7)6-12-9(13)11-5-4-10/h2-3H,4-6H2,1H3,(H2,11,12,13)
InChIKeyVNCAKMLXWLUQQC-UHFFFAOYSA-N
XLogP1.36
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-2-propylpentanamide
CID 55081261
2,2-dimethyl-3-[(5-methylfuran-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835246
3-fluoro-4-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 63187949
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015
1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
CID 74228702
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 82012174
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea (CID 25119845) is 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CNC(=O)NCCF)o1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is VNCAKMLXWLUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-7-2-3-8(14-7)6-12-9(13)11-5-4-10/h2-3H,4-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea?
1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 200.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 25119845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).