5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide

C25H29BrN2O3 — CID 118321757

IUPAC5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide
SMILESCCCCCCCCCC(=O)C1C(=O)N(C(=O)Nc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C25H29BrN2O3/c1-2-3-4-5-6-7-11-14-22(29)23-20-17-18(26)15-16-21(20)28(24(23)30)25(31)27-19-12-9-8-10-13-19/h8-10,12-13,15-17,23H,2-7,11,14H2,1H3,(H,27,31)
InChIKeyPVQSAQWSJUDNLN-UHFFFAOYSA-N
MW485.42 g/mol
LogP6.82
Rot. Bonds10

About 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide

5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide (PubChem CID 118321757) has the molecular formula C25H29BrN2O3 and a molecular weight of 485.42 g/mol. Its IUPAC name is 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide.

Molecular Properties

Compound Name5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide
PubChem CID118321757
Molecular FormulaC25H29BrN2O3
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC Name5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide
SMILESCCCCCCCCCC(=O)C1C(=O)N(C(=O)Nc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C25H29BrN2O3/c1-2-3-4-5-6-7-11-14-22(29)23-20-17-18(26)15-16-21(20)28(24(23)30)25(31)27-19-12-9-8-10-13-19/h8-10,12-13,15-17,23H,2-7,11,14H2,1H3,(H,27,31)
InChIKeyPVQSAQWSJUDNLN-UHFFFAOYSA-N
XLogP6.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-butylcyclohexanecarbonyl)-2-oxo-N-phenyl-3H-indole-1-carboxamide
CID 118321683
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-(3-bromophenyl)heptanamide
CID 4596383
5-oxo-N-phenylheptadecanamide
CID 3308902
1-(octanoylamino)-3-phenylurea
CID 5130887
4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 5013473
5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one
CID 4166075
formamide;N-phenylheptanamide
CID 143464966
3-(5-bromo-2-hydroxyphenyl)-1-pentyl-3H-indol-2-one
CID 58872536
3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide
CID 10309712
methyl 5-bromo-1-methyl-2-oxo-3H-indole-3-carboxylate
CID 158369582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The IUPAC name of 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide (CID 118321757) is 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide.
What is the SMILES notation for 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The canonical SMILES for 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide is CCCCCCCCCC(=O)C1C(=O)N(C(=O)Nc2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The InChIKey is PVQSAQWSJUDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN2O3/c1-2-3-4-5-6-7-11-14-22(29)23-20-17-18(26)15-16-21(20)28(24(23)30)25(31)27-19-12-9-8-10-13-19/h8-10,12-13,15-17,23H,2-7,11,14H2,1H3,(H,27,31).
What are the key properties of 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide?
5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide has a molecular weight of 485.42 g/mol, XLogP of 6.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-decanoyl-2-oxo-N-phenyl-3H-indole-1-carboxamide is sourced from PubChem (CID 118321757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).