4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide

C22H21ClN2O2 — CID 71494698

IUPAC4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide
SMILESCCCc1cc(/C(N)=N/O)c(-c2ccccc2)c(-c2ccc(O)cc2)c1Cl
InChIInChI=1S/C22H21ClN2O2/c1-2-6-16-13-18(22(24)25-27)19(14-7-4-3-5-8-14)20(21(16)23)15-9-11-17(26)12-10-15/h3-5,7-13,26-27H,2,6H2,1H3,(H2,24,25)
InChIKeyFOBXRBNKJUYADK-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.43
Rot. Bonds5

About 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide

4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide (PubChem CID 71494698) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide
PubChem CID71494698
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide
SMILESCCCc1cc(/C(N)=N/O)c(-c2ccccc2)c(-c2ccc(O)cc2)c1Cl
InChIInChI=1S/C22H21ClN2O2/c1-2-6-16-13-18(22(24)25-27)19(14-7-4-3-5-8-14)20(21(16)23)15-9-11-17(26)12-10-15/h3-5,7-13,26-27H,2,6H2,1H3,(H2,24,25)
InChIKeyFOBXRBNKJUYADK-UHFFFAOYSA-N
XLogP5.43
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide (CID 71494698) is 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide is CCCc1cc(/C(N)=N/O)c(-c2ccccc2)c(-c2ccc(O)cc2)c1Cl.
What is the InChIKey of 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide?
The InChIKey is FOBXRBNKJUYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-2-6-16-13-18(22(24)25-27)19(14-7-4-3-5-8-14)20(21(16)23)15-9-11-17(26)12-10-15/h3-5,7-13,26-27H,2,6H2,1H3,(H2,24,25).
What are the key properties of 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide?
4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide has a molecular weight of 380.88 g/mol, XLogP of 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-3-(4-hydroxyphenyl)-2-phenyl-5-propylbenzenecarboximidamide is sourced from PubChem (CID 71494698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).