3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea

C14H18F2N2O2 — CID 118783245

IUPAC3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea
SMILESCCN(C(=O)Nc1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C14H18F2N2O2/c1-2-18(11-5-7-20-8-6-11)14(19)17-10-3-4-12(15)13(16)9-10/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)
InChIKeyUBENLTUHWMVIRW-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.00
Rot. Bonds3

About 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea

3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea (PubChem CID 118783245) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea
PubChem CID118783245
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea
SMILESCCN(C(=O)Nc1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C14H18F2N2O2/c1-2-18(11-5-7-20-8-6-11)14(19)17-10-3-4-12(15)13(16)9-10/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)
InChIKeyUBENLTUHWMVIRW-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
3-(1,3-benzodioxol-5-yl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 71796144
1-ethyl-3-[3-(2-fluorophenyl)propyl]-1-(oxan-4-yl)urea
CID 122558645
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
5-[[butyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61442800
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607041
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-chlorophenyl)-1-ethylurea
CID 61231908
N-(3,4-difluorophenyl)propanamide
CID 4285365
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
CID 71801534

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea?
The IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea (CID 118783245) is 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea is CCN(C(=O)Nc1ccc(F)c(F)c1)C1CCOCC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea?
The InChIKey is UBENLTUHWMVIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-18(11-5-7-20-8-6-11)14(19)17-10-3-4-12(15)13(16)9-10/h3-4,9,11H,2,5-8H2,1H3,(H,17,19).
What are the key properties of 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea?
3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea has a molecular weight of 284.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea is sourced from PubChem (CID 118783245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).