1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea

C15H13ClF2N2O2 — CID 156854357

IUPAC1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1cccc(Cl)c1CCO
InChIInChI=1S/C15H13ClF2N2O2/c16-13-2-1-3-14(12(13)4-5-21)20-15(22)19-11-7-9(17)6-10(18)8-11/h1-3,6-8,21H,4-5H2,(H2,19,20,22)
InChIKeyANKITFYPOSWXPH-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.80
Rot. Bonds4

About 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea

1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea (PubChem CID 156854357) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
PubChem CID156854357
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1cccc(Cl)c1CCO
InChIInChI=1S/C15H13ClF2N2O2/c16-13-2-1-3-14(12(13)4-5-21)20-15(22)19-11-7-9(17)6-10(18)8-11/h1-3,6-8,21H,4-5H2,(H2,19,20,22)
InChIKeyANKITFYPOSWXPH-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854541
1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
CID 156854573
1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 156854682
1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
CID 166747587
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
1-(2-bromo-4-pyridinyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854356
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 156854434
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea (CID 156854357) is 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1)Nc1cccc(Cl)c1CCO.
What is the InChIKey of 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea?
The InChIKey is ANKITFYPOSWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c16-13-2-1-3-14(12(13)4-5-21)20-15(22)19-11-7-9(17)6-10(18)8-11/h1-3,6-8,21H,4-5H2,(H2,19,20,22).
What are the key properties of 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea?
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea has a molecular weight of 326.73 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 156854357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).