1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea

C12H18FN3O — CID 47081878

IUPAC1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
SMILESCCN(C)CCNC(=O)Nc1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-3-16(2)9-8-14-12(17)15-11-7-5-4-6-10(11)13/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyMOYLDQBAMWBCTN-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.90
Rot. Bonds5

About 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea

1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea (PubChem CID 47081878) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
PubChem CID47081878
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
SMILESCCN(C)CCNC(=O)Nc1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-3-16(2)9-8-14-12(17)15-11-7-5-4-6-10(11)13/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyMOYLDQBAMWBCTN-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,4-difluorobenzoic acid
CID 62635151
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 62636191
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-3-methylbenzoic acid
CID 62634462
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea (CID 47081878) is 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea is CCN(C)CCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is MOYLDQBAMWBCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-16(2)9-8-14-12(17)15-11-7-5-4-6-10(11)13/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea?
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 239.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 47081878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).