1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea

C14H18F2N2O3 — CID 118764369

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
SMILESO=C(NCC1(CO)CCC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O3/c15-12(16)21-11-4-2-10(3-5-11)18-13(20)17-8-14(9-19)6-1-7-14/h2-5,12,19H,1,6-9H2,(H2,17,18,20)
InChIKeyOQZJXKDDBDQVPG-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.57
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea

1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea (PubChem CID 118764369) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
PubChem CID118764369
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
SMILESO=C(NCC1(CO)CCC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O3/c15-12(16)21-11-4-2-10(3-5-11)18-13(20)17-8-14(9-19)6-1-7-14/h2-5,12,19H,1,6-9H2,(H2,17,18,20)
InChIKeyOQZJXKDDBDQVPG-UHFFFAOYSA-N
XLogP2.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992836
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683138

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea (CID 118764369) is 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea is O=C(NCC1(CO)CCC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea?
The InChIKey is OQZJXKDDBDQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c15-12(16)21-11-4-2-10(3-5-11)18-13(20)17-8-14(9-19)6-1-7-14/h2-5,12,19H,1,6-9H2,(H2,17,18,20).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea has a molecular weight of 300.30 g/mol, XLogP of 2.57, 6 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-[[1-(hydroxymethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 118764369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).