N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide

C22H18N2O2 — CID 171059896

IUPACN-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
SMILESO=C(NCc1cccc2[nH]ccc12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-22(24-15-17-5-4-8-21-20(17)13-14-23-21)16-9-11-19(12-10-16)26-18-6-2-1-3-7-18/h1-14,23H,15H2,(H,24,25)
InChIKeyVZRLLQKIKQKVMH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.89
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide

N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide (PubChem CID 171059896) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
PubChem CID171059896
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
SMILESO=C(NCc1cccc2[nH]ccc12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-22(24-15-17-5-4-8-21-20(17)13-14-23-21)16-9-11-19(12-10-16)26-18-6-2-1-3-7-18/h1-14,23H,15H2,(H,24,25)
InChIKeyVZRLLQKIKQKVMH-UHFFFAOYSA-N
XLogP4.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoic acid
CID 22661330
2-[1-[4-(1H-indol-4-ylmethylcarbamoyl)anilino]-2-oxoethoxy]benzoic acid
CID 175534859
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
methyl 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoate
CID 22661520
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
methyl 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-phenylprop-2-enoate
CID 74062778
(2S)-2-[[2-(1H-indol-4-yl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009152
methyl 3-[(1H-indol-4-ylmethylcarbamoylamino)methyl]-4-methylbenzoate
CID 166389016
CID 59918704
CID 59918704
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide?
The IUPAC name of N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide (CID 171059896) is N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide is O=C(NCc1cccc2[nH]ccc12)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide?
The InChIKey is VZRLLQKIKQKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22(24-15-17-5-4-8-21-20(17)13-14-23-21)16-9-11-19(12-10-16)26-18-6-2-1-3-7-18/h1-14,23H,15H2,(H,24,25).
What are the key properties of N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide?
N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide is sourced from PubChem (CID 171059896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).