1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide

C25H23N3O3 — CID 174999219

IUPAC1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
SMILESO=C(NO)c1ccc(Cn2cc(C(=O)NCCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O3/c29-24(27-31)20-12-10-19(11-13-20)16-28-17-22(21-8-4-5-9-23(21)28)25(30)26-15-14-18-6-2-1-3-7-18/h1-13,17,31H,14-16H2,(H,26,30)(H,27,29)
InChIKeyCJJBBNKOTYWYRI-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.78
Rot. Bonds7

About 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide

1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide (PubChem CID 174999219) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
PubChem CID174999219
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
SMILESO=C(NO)c1ccc(Cn2cc(C(=O)NCCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O3/c29-24(27-31)20-12-10-19(11-13-20)16-28-17-22(21-8-4-5-9-23(21)28)25(30)26-15-14-18-6-2-1-3-7-18/h1-13,17,31H,14-16H2,(H,26,30)(H,27,29)
InChIKeyCJJBBNKOTYWYRI-UHFFFAOYSA-N
XLogP3.78
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-propylindole-3-carboxamide
CID 24654500
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
1-[(4-chlorophenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]indole-3-carboxamide
CID 166984640
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1-[(4-methylphenyl)methyl]indole-3-carboxamide
CID 166984638
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide?
The IUPAC name of 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide (CID 174999219) is 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide?
The canonical SMILES for 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide is O=C(NO)c1ccc(Cn2cc(C(=O)NCCc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide?
The InChIKey is CJJBBNKOTYWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24(27-31)20-12-10-19(11-13-20)16-28-17-22(21-8-4-5-9-23(21)28)25(30)26-15-14-18-6-2-1-3-7-18/h1-13,17,31H,14-16H2,(H,26,30)(H,27,29).
What are the key properties of 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide?
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 174999219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).