3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea

C17H18ClFN2O3 — CID 55819798

IUPAC3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClFN2O3/c1-24-16-5-3-2-4-12(16)11-21(8-9-22)17(23)20-13-6-7-14(18)15(19)10-13/h2-7,10,22H,8-9,11H2,1H3,(H,20,23)
InChIKeyKVHAGFMSBAAYHP-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.51
Rot. Bonds6

About 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea

3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 55819798) has the molecular formula C17H18ClFN2O3 and a molecular weight of 352.79 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
PubChem CID55819798
Molecular FormulaC17H18ClFN2O3
Molecular Weight352.79 g/mol
Exact Mass352.10
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H18ClFN2O3/c1-24-16-5-3-2-4-12(16)11-21(8-9-22)17(23)20-13-6-7-14(18)15(19)10-13/h2-7,10,22H,8-9,11H2,1H3,(H,20,23)
InChIKeyKVHAGFMSBAAYHP-UHFFFAOYSA-N
XLogP3.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42709110
3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901348
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017
1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea
CID 42709304
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 87009738
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea (CID 55819798) is 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(CCO)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is KVHAGFMSBAAYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3/c1-24-16-5-3-2-4-12(16)11-21(8-9-22)17(23)20-13-6-7-14(18)15(19)10-13/h2-7,10,22H,8-9,11H2,1H3,(H,20,23).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 352.79 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 55819798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).