[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea

C16H13FN4O2 — CID 767162

IUPAC[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
SMILESNC(=O)/N=N/c1c(O)n(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C16H13FN4O2/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8,22H,9H2,(H2,18,23)/b20-19+
InChIKeyUBIOWDLANFXACP-FMQUCBEESA-N
MW312.30 g/mol
LogP3.70
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea

[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea (PubChem CID 767162) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
PubChem CID767162
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
SMILESNC(=O)/N=N/c1c(O)n(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C16H13FN4O2/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8,22H,9H2,(H2,18,23)/b20-19+
InChIKeyUBIOWDLANFXACP-FMQUCBEESA-N
XLogP3.70
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
1-(4-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminothiourea
CID 3604671
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786
1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
CID 135754944
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-nitrobenzamide
CID 1098391
methyl 3-[[1-[(4-bromophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]thiophene-2-carboxylate
CID 3374035
trans-(1S,2S)-N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-(4-tert-butylphenyl)cyclopropane-1-carboxamide
CID 135913127
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea (CID 767162) is [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea is NC(=O)/N=N/c1c(O)n(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
The InChIKey is UBIOWDLANFXACP-FMQUCBEESA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8,22H,9H2,(H2,18,23)/b20-19+.
What are the key properties of [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea has a molecular weight of 312.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea is sourced from PubChem (CID 767162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).