1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea

C17H18F2N2O3 — CID 111453013

IUPAC1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
SMILESCOCc1cccc(NC(=O)NCC(O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-24-10-11-4-2-5-12(8-11)21-17(23)20-9-15(22)16-13(18)6-3-7-14(16)19/h2-8,15,22H,9-10H2,1H3,(H2,20,21,23)
InChIKeyHGYCTCXBRKKZFP-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea (PubChem CID 111453013) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
PubChem CID111453013
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
SMILESCOCc1cccc(NC(=O)NCC(O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-24-10-11-4-2-5-12(8-11)21-17(23)20-9-15(22)16-13(18)6-3-7-14(16)19/h2-8,15,22H,9-10H2,1H3,(H2,20,21,23)
InChIKeyHGYCTCXBRKKZFP-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 110893422
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
1-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 166213427
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1-methoxybutan-2-yl)urea
CID 111450715
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea (CID 111453013) is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea is COCc1cccc(NC(=O)NCC(O)c2c(F)cccc2F)c1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea?
The InChIKey is HGYCTCXBRKKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-24-10-11-4-2-5-12(8-11)21-17(23)20-9-15(22)16-13(18)6-3-7-14(16)19/h2-8,15,22H,9-10H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea?
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea has a molecular weight of 336.34 g/mol, XLogP of 2.97, 6 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-[3-(methoxymethyl)phenyl]urea is sourced from PubChem (CID 111453013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).