1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea

C14H20F2N2O3 — CID 111450715

IUPAC1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O3/c1-3-9(8-21-2)18-14(20)17-7-12(19)13-10(15)5-4-6-11(13)16/h4-6,9,12,19H,3,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyRYPFURNCKYUBPK-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.72
Rot. Bonds7

About 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea (PubChem CID 111450715) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea
PubChem CID111450715
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea
SMILESCCC(COC)NC(=O)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O3/c1-3-9(8-21-2)18-14(20)17-7-12(19)13-10(15)5-4-6-11(13)16/h4-6,9,12,19H,3,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyRYPFURNCKYUBPK-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 95775482
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482933
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpentanamide
CID 111451449
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451257
3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
CID 100657823
1-(2-tert-butylsulfinylethyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea (CID 111450715) is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea is CCC(COC)NC(=O)NCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea?
The InChIKey is RYPFURNCKYUBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-3-9(8-21-2)18-14(20)17-7-12(19)13-10(15)5-4-6-11(13)16/h4-6,9,12,19H,3,7-8H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea?
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea has a molecular weight of 302.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea is sourced from PubChem (CID 111450715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).