3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea

C12H15ClF2N2O3 — CID 75451514

IUPAC3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C12H15ClF2N2O3/c1-2-17(5-6-18)12(19)16-8-3-4-9(13)10(7-8)20-11(14)15/h3-4,7,11,18H,2,5-6H2,1H3,(H,16,19)
InChIKeyLXEBKPWJNKDMMW-UHFFFAOYSA-N
MW308.71 g/mol
LogP2.79
Rot. Bonds6

About 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 75451514) has the molecular formula C12H15ClF2N2O3 and a molecular weight of 308.71 g/mol. Its IUPAC name is 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID75451514
Molecular FormulaC12H15ClF2N2O3
Molecular Weight308.71 g/mol
Exact Mass308.07
IUPAC Name3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C12H15ClF2N2O3/c1-2-17(5-6-18)12(19)16-8-3-4-9(13)10(7-8)20-11(14)15/h3-4,7,11,18H,2,5-6H2,1H3,(H,16,19)
InChIKeyLXEBKPWJNKDMMW-UHFFFAOYSA-N
XLogP2.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-3-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75505419
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
CID 86805225
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790548
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75521625
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110930823
3-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890261
3-[(4-chloro-3-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107622510
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 167979146
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 110021826
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 75451514) is 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1ccc(Cl)c(OC(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is LXEBKPWJNKDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3/c1-2-17(5-6-18)12(19)16-8-3-4-9(13)10(7-8)20-11(14)15/h3-4,7,11,18H,2,5-6H2,1H3,(H,16,19).
What are the key properties of 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 308.71 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 75451514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).