1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea

C15H12Cl2F2N2O2 — CID 42959006

IUPAC1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2N2O2/c16-10-3-2-9(6-11(10)17)21-15(23)20-7-14(22)8-1-4-12(18)13(19)5-8/h1-6,14,22H,7H2,(H2,20,21,23)
InChIKeyUOZHYZWMTXJRNN-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.13
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea

1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea (PubChem CID 42959006) has the molecular formula C15H12Cl2F2N2O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
PubChem CID42959006
Molecular FormulaC15H12Cl2F2N2O2
Molecular Weight361.18 g/mol
Exact Mass360.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2N2O2/c16-10-3-2-9(6-11(10)17)21-15(23)20-7-14(22)8-1-4-12(18)13(19)5-8/h1-6,14,22H,7H2,(H2,20,21,23)
InChIKeyUOZHYZWMTXJRNN-UHFFFAOYSA-N
XLogP4.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 51134217
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea (CID 42959006) is 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is UOZHYZWMTXJRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O2/c16-10-3-2-9(6-11(10)17)21-15(23)20-7-14(22)8-1-4-12(18)13(19)5-8/h1-6,14,22H,7H2,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 361.18 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 42959006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).