1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea

C15H10F2N4O2 — CID 169273498

IUPAC1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N4O2/c16-10-6-5-8(7-11(10)17)18-15(23)21-20-13-9-3-1-2-4-12(9)19-14(13)22/h1-7,19,22H,(H,18,23)/b21-20+
InChIKeyOJJOYXVAHGZHKT-QZQOTICOSA-N
MW316.27 g/mol
LogP4.47
Rot. Bonds2

About 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea

1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea (PubChem CID 169273498) has the molecular formula C15H10F2N4O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea
PubChem CID169273498
Molecular FormulaC15H10F2N4O2
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N4O2/c16-10-6-5-8(7-11(10)17)18-15(23)21-20-13-9-3-1-2-4-12(9)19-14(13)22/h1-7,19,22H,(H,18,23)/b21-20+
InChIKeyOJJOYXVAHGZHKT-QZQOTICOSA-N
XLogP4.47
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4182686
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135936240
4-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
CID 3538856
2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1494119
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 3779132
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
1-(3-ethylphenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
CID 135571902
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-hydroxy-4-[(2-hydroxy-1H-indol-3-yl)iminocarbamothioylamino]benzeneamine oxide
CID 135801219

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea (CID 169273498) is 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea is O=C(/N=N/c1c(O)[nH]c2ccccc12)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea?
The InChIKey is OJJOYXVAHGZHKT-QZQOTICOSA-N. The full InChI is InChI=1S/C15H10F2N4O2/c16-10-6-5-8(7-11(10)17)18-15(23)21-20-13-9-3-1-2-4-12(9)19-14(13)22/h1-7,19,22H,(H,18,23)/b21-20+.
What are the key properties of 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea?
1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea has a molecular weight of 316.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea is sourced from PubChem (CID 169273498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).