N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide

C23H18N2O2 — CID 123616967

IUPACN-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide
SMILESO=Cc1ccc(N(Cc2ccccc2)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c26-16-18-10-12-19(13-11-18)25(15-17-6-2-1-3-7-17)23(27)21-14-24-22-9-5-4-8-20(21)22/h1-14,16,24H,15H2
InChIKeyCQHYQZWVLVRLKZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.83
Rot. Bonds5

About N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide

N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide (PubChem CID 123616967) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide
PubChem CID123616967
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC NameN-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide
SMILESO=Cc1ccc(N(Cc2ccccc2)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c26-16-18-10-12-19(13-11-18)25(15-17-6-2-1-3-7-17)23(27)21-14-24-22-9-5-4-8-20(21)22/h1-14,16,24H,15H2
InChIKeyCQHYQZWVLVRLKZ-UHFFFAOYSA-N
XLogP4.83
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 7966376
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide (CID 123616967) is N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide is O=Cc1ccc(N(Cc2ccccc2)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide?
The InChIKey is CQHYQZWVLVRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-16-18-10-12-19(13-11-18)25(15-17-6-2-1-3-7-17)23(27)21-14-24-22-9-5-4-8-20(21)22/h1-14,16,24H,15H2.
What are the key properties of N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide?
N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-formylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 123616967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).