1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea

C14H10Cl2F2N2O2 — CID 166747549

IUPAC1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(F)cc(F)c1CO
InChIInChI=1S/C14H10Cl2F2N2O2/c15-7-1-8(16)3-10(2-7)19-14(22)20-13-5-9(17)4-12(18)11(13)6-21/h1-5,21H,6H2,(H2,19,20,22)
InChIKeyRQFJXSQNXVLUSW-UHFFFAOYSA-N
MW347.15 g/mol
LogP4.41
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea

1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea (PubChem CID 166747549) has the molecular formula C14H10Cl2F2N2O2 and a molecular weight of 347.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
PubChem CID166747549
Molecular FormulaC14H10Cl2F2N2O2
Molecular Weight347.15 g/mol
Exact Mass346.01
IUPAC Name1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(F)cc(F)c1CO
InChIInChI=1S/C14H10Cl2F2N2O2/c15-7-1-8(16)3-10(2-7)19-14(22)20-13-5-9(17)4-12(18)11(13)6-21/h1-5,21H,6H2,(H2,19,20,22)
InChIKeyRQFJXSQNXVLUSW-UHFFFAOYSA-N
XLogP4.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichloro-4-pyridinyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
CID 156854528
1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea
CID 156854733
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 156854434
1-(4-chlorophenyl)-3-(3,5-difluoro-2-hydroxyphenyl)urea;1-(3,5-dichlorophenyl)-3-(3,5-difluoro-2-hydroxyphenyl)urea;1-(3,5-difluoro-2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 157385128
1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854541
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747486
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
CID 107368671
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 156854357

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea (CID 166747549) is 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(F)cc(F)c1CO.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea?
The InChIKey is RQFJXSQNXVLUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O2/c15-7-1-8(16)3-10(2-7)19-14(22)20-13-5-9(17)4-12(18)11(13)6-21/h1-5,21H,6H2,(H2,19,20,22).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea?
1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea has a molecular weight of 347.15 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 166747549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).