1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea

C12H17FN2O — CID 115603501

IUPAC1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCCN(C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-4-15(3)12(16)14-9(2)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyQNVGGLQQZASSDX-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.55
Rot. Bonds3

About 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea

1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea (PubChem CID 115603501) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
PubChem CID115603501
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCCN(C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-4-15(3)12(16)14-9(2)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyQNVGGLQQZASSDX-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
CID 115603907
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 117062720
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81348111
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81347208
3-[1-(3,5-difluorophenyl)ethyl]-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 122563775
2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 166303471
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
2-methyl-3-[methyl-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]amino]propanoic acid
CID 122011422
3-[(1S)-1-(4-fluorophenyl)ethyl]-1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methylurea
CID 126439991

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea (CID 115603501) is 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea is CCN(C)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is QNVGGLQQZASSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-15(3)12(16)14-9(2)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3,(H,14,16).
What are the key properties of 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea?
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 224.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115603501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).