1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

C15H14ClFN2O2 — CID 110890317

IUPAC1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-3-1-2-4-13(12)19-15(21)18-9-14(20)10-5-7-11(17)8-6-10/h1-8,14,20H,9H2,(H2,18,19,21)
InChIKeyCNQUAYHOUURPMY-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 110890317) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID110890317
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-3-1-2-4-13(12)19-15(21)18-9-14(20)10-5-7-11(17)8-6-10/h1-8,14,20H,9H2,(H2,18,19,21)
InChIKeyCNQUAYHOUURPMY-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60543304
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-[2-[(2,2-dichlorocyclopropyl)methylsulfanyl]phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 78893729
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 110890317) is 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is CNQUAYHOUURPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-3-1-2-4-13(12)19-15(21)18-9-14(20)10-5-7-11(17)8-6-10/h1-8,14,20H,9H2,(H2,18,19,21).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 308.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110890317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).