1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea

C14H11Br2ClN2O2 — CID 156854573

IUPAC1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
SMILESO=C(Nc1cc(Br)cc(Br)c1)Nc1cccc(Cl)c1CO
InChIInChI=1S/C14H11Br2ClN2O2/c15-8-4-9(16)6-10(5-8)18-14(21)19-13-3-1-2-12(17)11(13)7-20/h1-6,20H,7H2,(H2,18,19,21)
InChIKeyFZTMPSRSDGKDIU-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.00
Rot. Bonds3

About 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea

1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea (PubChem CID 156854573) has the molecular formula C14H11Br2ClN2O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea.

Molecular Properties

Compound Name1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
PubChem CID156854573
Molecular FormulaC14H11Br2ClN2O2
Molecular Weight434.52 g/mol
Exact Mass431.89
IUPAC Name1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea
SMILESO=C(Nc1cc(Br)cc(Br)c1)Nc1cccc(Cl)c1CO
InChIInChI=1S/C14H11Br2ClN2O2/c15-8-4-9(16)6-10(5-8)18-14(21)19-13-3-1-2-12(17)11(13)7-20/h1-6,20H,7H2,(H2,18,19,21)
InChIKeyFZTMPSRSDGKDIU-UHFFFAOYSA-N
XLogP5.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.00
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-(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-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854728
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 156854357
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-[3-chloro-5-(trifluoromethoxy)phenyl]urea
CID 166747576
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854205
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea?
The IUPAC name of 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea (CID 156854573) is 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea.
What is the SMILES notation for 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea?
The canonical SMILES for 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea is O=C(Nc1cc(Br)cc(Br)c1)Nc1cccc(Cl)c1CO.
What is the InChIKey of 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea?
The InChIKey is FZTMPSRSDGKDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O2/c15-8-4-9(16)6-10(5-8)18-14(21)19-13-3-1-2-12(17)11(13)7-20/h1-6,20H,7H2,(H2,18,19,21).
What are the key properties of 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea?
1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea has a molecular weight of 434.52 g/mol, XLogP of 5.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(hydroxymethyl)phenyl]-3-(3,5-dibromophenyl)urea is sourced from PubChem (CID 156854573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).