N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide

C23H26ClN3O3 — CID 152881327

IUPACN-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide
SMILESO=C(CCCCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)NO
InChIInChI=1S/C23H26ClN3O3/c24-18-12-10-17(11-13-18)15-25-23(29)20-16-27(21-8-5-4-7-19(20)21)14-6-2-1-3-9-22(28)26-30/h4-5,7-8,10-13,16,30H,1-3,6,9,14-15H2,(H,25,29)(H,26,28)
InChIKeyUBLBCQRYDFNHSB-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.68
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide (PubChem CID 152881327) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide
PubChem CID152881327
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide
SMILESO=C(CCCCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)NO
InChIInChI=1S/C23H26ClN3O3/c24-18-12-10-17(11-13-18)15-25-23(29)20-16-27(21-8-5-4-7-19(20)21)14-6-2-1-3-9-22(28)26-30/h4-5,7-8,10-13,16,30H,1-3,6,9,14-15H2,(H,25,29)(H,26,28)
InChIKeyUBLBCQRYDFNHSB-UHFFFAOYSA-N
XLogP4.68
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide (CID 152881327) is N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide is O=C(CCCCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)NO.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide?
The InChIKey is UBLBCQRYDFNHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-18-12-10-17(11-13-18)15-25-23(29)20-16-27(21-8-5-4-7-19(20)21)14-6-2-1-3-9-22(28)26-30/h4-5,7-8,10-13,16,30H,1-3,6,9,14-15H2,(H,25,29)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 4.68, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide is sourced from PubChem (CID 152881327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).