1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea

C13H16F2N2O2 — CID 111104348

IUPAC1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NCc1cc(F)ccc1F)N(CCO)C1CC1
InChIInChI=1S/C13H16F2N2O2/c14-10-1-4-12(15)9(7-10)8-16-13(19)17(5-6-18)11-2-3-11/h1,4,7,11,18H,2-3,5-6,8H2,(H,16,19)
InChIKeyGNXJQPXBDQFDMR-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.63
Rot. Bonds5

About 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 111104348) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID111104348
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NCc1cc(F)ccc1F)N(CCO)C1CC1
InChIInChI=1S/C13H16F2N2O2/c14-10-1-4-12(15)9(7-10)8-16-13(19)17(5-6-18)11-2-3-11/h1,4,7,11,18H,2-3,5-6,8H2,(H,16,19)
InChIKeyGNXJQPXBDQFDMR-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110895478
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110900938
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 110904170
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea (CID 111104348) is 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea is O=C(NCc1cc(F)ccc1F)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is GNXJQPXBDQFDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-10-1-4-12(15)9(7-10)8-16-13(19)17(5-6-18)11-2-3-11/h1,4,7,11,18H,2-3,5-6,8H2,(H,16,19).
What are the key properties of 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 270.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111104348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).