2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide

C27H25ClN4O4 — CID 137175115

IUPAC2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN4O4/c28-20-11-9-19(10-12-20)17-36-24-8-4-2-6-22(24)26(33)30-29-25-21-5-1-3-7-23(21)32(27(25)34)18-31-13-15-35-16-14-31/h1-12,34H,13-18H2/b30-29+
InChIKeyVAHINFYGODRDIK-QVIHXGFCSA-N
MW504.97 g/mol
LogP5.79
Rot. Bonds7

About 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide

2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide (PubChem CID 137175115) has the molecular formula C27H25ClN4O4 and a molecular weight of 504.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
PubChem CID137175115
Molecular FormulaC27H25ClN4O4
Molecular Weight504.97 g/mol
Exact Mass504.16
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN4O4/c28-20-11-9-19(10-12-20)17-36-24-8-4-2-6-22(24)26(33)30-29-25-21-5-1-3-7-23(21)32(27(25)34)18-31-13-15-35-16-14-31/h1-12,34H,13-18H2/b30-29+
InChIKeyVAHINFYGODRDIK-QVIHXGFCSA-N
XLogP5.79
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide (CID 137175115) is 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
The InChIKey is VAHINFYGODRDIK-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H25ClN4O4/c28-20-11-9-19(10-12-20)17-36-24-8-4-2-6-22(24)26(33)30-29-25-21-5-1-3-7-23(21)32(27(25)34)18-31-13-15-35-16-14-31/h1-12,34H,13-18H2/b30-29+.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide?
2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide has a molecular weight of 504.97 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 137175115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).