1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea

C15H20F2N2O3 — CID 111438438

IUPAC1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCC(COc1ccc(F)cc1F)NC(=O)NCC1(O)CCC1
InChIInChI=1S/C15H20F2N2O3/c1-10(8-22-13-4-3-11(16)7-12(13)17)19-14(20)18-9-15(21)5-2-6-15/h3-4,7,10,21H,2,5-6,8-9H2,1H3,(H2,18,19,20)
InChIKeyJJJWGRKODYIYHD-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.95
Rot. Bonds6

About 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438438) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438438
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCC(COc1ccc(F)cc1F)NC(=O)NCC1(O)CCC1
InChIInChI=1S/C15H20F2N2O3/c1-10(8-22-13-4-3-11(16)7-12(13)17)19-14(20)18-9-15(21)5-2-6-15/h3-4,7,10,21H,2,5-6,8-9H2,1H3,(H2,18,19,20)
InChIKeyJJJWGRKODYIYHD-UHFFFAOYSA-N
XLogP1.95
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94594290
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 60580755
4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926918
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959
N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
CID 99784636

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438438) is 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea is CC(COc1ccc(F)cc1F)NC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is JJJWGRKODYIYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10(8-22-13-4-3-11(16)7-12(13)17)19-14(20)18-9-15(21)5-2-6-15/h3-4,7,10,21H,2,5-6,8-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 314.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).