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

C14H20F2N2O3 — CID 110919120

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O3/c1-3-14(20,4-2)9-17-13(19)18-10-5-7-11(8-6-10)21-12(15)16/h5-8,12,20H,3-4,9H2,1-2H3,(H2,17,18,19)
InChIKeyOROINZCWLCCDFS-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.96
Rot. Bonds7

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

1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 110919120) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID110919120
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O3/c1-3-14(20,4-2)9-17-13(19)18-10-5-7-11(8-6-10)21-12(15)16/h5-8,12,20H,3-4,9H2,1-2H3,(H2,17,18,19)
InChIKeyOROINZCWLCCDFS-UHFFFAOYSA-N
XLogP2.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110910143
1-[4-(difluoromethoxy)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388786
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
CID 61194078
1-(2-ethyl-2-hydroxybutyl)-3-(4-piperidin-1-ylphenyl)urea
CID 111103418
2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea (CID 110919120) is 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is OROINZCWLCCDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-3-14(20,4-2)9-17-13(19)18-10-5-7-11(8-6-10)21-12(15)16/h5-8,12,20H,3-4,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea?
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 302.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 110919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).