1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

C16H16ClFN2O3 — CID 111116754

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFN2O3/c1-23-12-4-2-3-10(7-12)15(21)9-19-16(22)20-11-5-6-14(18)13(17)8-11/h2-8,15,21H,9H2,1H3,(H2,19,20,22)
InChIKeyAWKQYQROMICFDA-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.34
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 111116754) has the molecular formula C16H16ClFN2O3 and a molecular weight of 338.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
PubChem CID111116754
Molecular FormulaC16H16ClFN2O3
Molecular Weight338.77 g/mol
Exact Mass338.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFN2O3/c1-23-12-4-2-3-10(7-12)15(21)9-19-16(22)20-11-5-6-14(18)13(17)8-11/h2-8,15,21H,9H2,1H3,(H2,19,20,22)
InChIKeyAWKQYQROMICFDA-UHFFFAOYSA-N
XLogP3.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116760
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623593
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (CID 111116754) is 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(O)CNC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is AWKQYQROMICFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3/c1-23-12-4-2-3-10(7-12)15(21)9-19-16(22)20-11-5-6-14(18)13(17)8-11/h2-8,15,21H,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 338.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111116754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).