1-ethyl-3-(3-fluorophenyl)-1-methylurea

C10H13FN2O — CID 115603508

IUPAC1-ethyl-3-(3-fluorophenyl)-1-methylurea
SMILESCCN(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H13FN2O/c1-3-13(2)10(14)12-9-6-4-5-8(11)7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyTXDJESCOYAFFTN-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.31
Rot. Bonds2

About 1-ethyl-3-(3-fluorophenyl)-1-methylurea

1-ethyl-3-(3-fluorophenyl)-1-methylurea (PubChem CID 115603508) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(3-fluorophenyl)-1-methylurea
PubChem CID115603508
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-ethyl-3-(3-fluorophenyl)-1-methylurea
SMILESCCN(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H13FN2O/c1-3-13(2)10(14)12-9-6-4-5-8(11)7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyTXDJESCOYAFFTN-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916676
1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 71844410
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluorophenyl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(3-fluorophenyl)-1-methylurea (CID 115603508) is 1-ethyl-3-(3-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(3-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(3-fluorophenyl)-1-methylurea is CCN(C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-ethyl-3-(3-fluorophenyl)-1-methylurea?
The InChIKey is TXDJESCOYAFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-13(2)10(14)12-9-6-4-5-8(11)7-9/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of 1-ethyl-3-(3-fluorophenyl)-1-methylurea?
1-ethyl-3-(3-fluorophenyl)-1-methylurea has a molecular weight of 196.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluorophenyl)-1-methylurea is sourced from PubChem (CID 115603508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).