N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide

C28H26Cl2N4O3 — CID 135888988

IUPACN-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCCCC2)c2cccc(Cl)c12)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C28H26Cl2N4O3/c29-22-8-3-2-7-20(22)17-37-21-13-11-19(12-14-21)27(35)32-31-26-25-23(30)9-6-10-24(25)34(28(26)36)18-33-15-4-1-5-16-33/h2-3,6-14,36H,1,4-5,15-18H2/b32-31+
InChIKeyIDQBMSQAMHLFMK-QNEJGDQOSA-N
MW537.45 g/mol
LogP7.60
Rot. Bonds7

About N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide

N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide (PubChem CID 135888988) has the molecular formula C28H26Cl2N4O3 and a molecular weight of 537.45 g/mol. Its IUPAC name is N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide
PubChem CID135888988
Molecular FormulaC28H26Cl2N4O3
Molecular Weight537.45 g/mol
Exact Mass536.14
IUPAC NameN-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCCCC2)c2cccc(Cl)c12)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C28H26Cl2N4O3/c29-22-8-3-2-7-20(22)17-37-21-13-11-19(12-14-21)27(35)32-31-26-25-23(30)9-6-10-24(25)34(28(26)36)18-33-15-4-1-5-16-33/h2-3,6-14,36H,1,4-5,15-18H2/b32-31+
InChIKeyIDQBMSQAMHLFMK-QNEJGDQOSA-N
XLogP7.60
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.45
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[4-chloro-2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide
CID 135888990
4-[(3-chlorophenyl)methoxy]-N-[2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminobenzamide
CID 135617053
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135526911
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide (CID 135888988) is N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide is O=C(/N=N/c1c(O)n(CN2CCCCC2)c2cccc(Cl)c12)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide?
The InChIKey is IDQBMSQAMHLFMK-QNEJGDQOSA-N. The full InChI is InChI=1S/C28H26Cl2N4O3/c29-22-8-3-2-7-20(22)17-37-21-13-11-19(12-14-21)27(35)32-31-26-25-23(30)9-6-10-24(25)34(28(26)36)18-33-15-4-1-5-16-33/h2-3,6-14,36H,1,4-5,15-18H2/b32-31+.
What are the key properties of N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide?
N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide has a molecular weight of 537.45 g/mol, XLogP of 7.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-4-[(2-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 135888988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).