1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C14H18F2N2O2 — CID 71864836

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCCc1ccc(F)cc1F)NCC1(CO)CC1
InChIInChI=1S/C14H18F2N2O2/c15-11-2-1-10(12(16)7-11)3-6-17-13(20)18-8-14(9-19)4-5-14/h1-2,7,19H,3-6,8-9H2,(H2,17,18,20)
InChIKeyRSVQJIHXIBJNAA-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.58
Rot. Bonds6

About 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 71864836) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID71864836
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCCc1ccc(F)cc1F)NCC1(CO)CC1
InChIInChI=1S/C14H18F2N2O2/c15-11-2-1-10(12(16)7-11)3-6-17-13(20)18-8-14(9-19)4-5-14/h1-2,7,19H,3-6,8-9H2,(H2,17,18,20)
InChIKeyRSVQJIHXIBJNAA-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(hydroxymethyl)propyl]-3-phenethyl-urea
CID 38155643
1-((1-(4-Fluorophenyl)cyclopropyl)methyl)-3-(2-methoxyethyl)urea
CID 45497264
1-[2-(2-Fluorophenyl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 45875839
1-(4-Fluorobenzyl)-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49670992
1-[1-(3-Fluorophenyl)cyclopropyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 71922249
1-[1-(2-Fluorophenyl)cyclopropyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 71972718
1-[2-(2,5-Difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
1-(2-Cyclopropyl-2-hydroxyethyl)-3-[2-(2,5-difluorophenyl)ethyl]urea
CID 71981441
(S)-1-cyclopropyl-3-{3-[(p-fluorophenyl)methyl]ureido}-1-propanol
CID 96350071
1-Benzhydryl-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49678077
1-(3-Hydroxy-4,4-dimethylpentyl)-3-phenethylurea
CID 71787647
(S)-1-cyclopropyl-3-[3-(3-phenylpropyl)ureido]-1-propanol
CID 96350075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 71864836) is 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is O=C(NCCc1ccc(F)cc1F)NCC1(CO)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is RSVQJIHXIBJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-2-1-10(12(16)7-11)3-6-17-13(20)18-8-14(9-19)4-5-14/h1-2,7,19H,3-6,8-9H2,(H2,17,18,20).
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 284.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 71864836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).