1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea

C13H8Cl2N4O2 — CID 167797088

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2nonc2c1
InChIInChI=1S/C13H8Cl2N4O2/c14-7-3-8(15)5-10(4-7)17-13(20)16-9-1-2-11-12(6-9)19-21-18-11/h1-6H,(H2,16,17,20)
InChIKeyYHDBZKKDPIZSTA-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.17
Rot. Bonds2

About 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea

1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea (PubChem CID 167797088) has the molecular formula C13H8Cl2N4O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea
PubChem CID167797088
Molecular FormulaC13H8Cl2N4O2
Molecular Weight323.14 g/mol
Exact Mass322.00
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2nonc2c1
InChIInChI=1S/C13H8Cl2N4O2/c14-7-3-8(15)5-10(4-7)17-13(20)16-9-1-2-11-12(6-9)19-21-18-11/h1-6H,(H2,16,17,20)
InChIKeyYHDBZKKDPIZSTA-UHFFFAOYSA-N
XLogP4.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2,1,3-benzoxadiazol-5-yl)urea
CID 69090481
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 90211641
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
[[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 2821570
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea (CID 167797088) is 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2nonc2c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is YHDBZKKDPIZSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O2/c14-7-3-8(15)5-10(4-7)17-13(20)16-9-1-2-11-12(6-9)19-21-18-11/h1-6H,(H2,16,17,20).
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea?
1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 323.14 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 167797088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).