2-(1H-indol-4-yl)-5-methoxybenzamide

C16H14N2O2 — CID 67929816

IUPAC2-(1H-indol-4-yl)-5-methoxybenzamide
SMILESCOc1ccc(-c2cccc3[nH]ccc23)c(C(N)=O)c1
InChIInChI=1S/C16H14N2O2/c1-20-10-5-6-12(14(9-10)16(17)19)11-3-2-4-15-13(11)7-8-18-15/h2-9,18H,1H3,(H2,17,19)
InChIKeyGMECDRPVGHECDP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.94
Rot. Bonds3

About 2-(1H-indol-4-yl)-5-methoxybenzamide

2-(1H-indol-4-yl)-5-methoxybenzamide (PubChem CID 67929816) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-5-methoxybenzamide
PubChem CID67929816
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(1H-indol-4-yl)-5-methoxybenzamide
SMILESCOc1ccc(-c2cccc3[nH]ccc23)c(C(N)=O)c1
InChIInChI=1S/C16H14N2O2/c1-20-10-5-6-12(14(9-10)16(17)19)11-3-2-4-15-13(11)7-8-18-15/h2-9,18H,1H3,(H2,17,19)
InChIKeyGMECDRPVGHECDP-UHFFFAOYSA-N
XLogP2.94
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl) 1H-indole-4-carboxylate
CID 150869217
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide
CID 140548835
4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
CID 90082572
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
CID 82382127
4-(1H-indol-4-yl)-6-methoxy-2-methyl-1-oxoisoquinoline-3-carbonitrile
CID 68718547
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
N-(2,4-dimethoxyphenyl)-2-(1H-indol-4-yloxy)acetamide
CID 29148471
4-[2-(aminomethyl)phenyl]-2-(3-methoxyphenyl)-1H-indole-7-carboxamide
CID 174783705
3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42571035

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-5-methoxybenzamide?
The IUPAC name of 2-(1H-indol-4-yl)-5-methoxybenzamide (CID 67929816) is 2-(1H-indol-4-yl)-5-methoxybenzamide.
What is the SMILES notation for 2-(1H-indol-4-yl)-5-methoxybenzamide?
The canonical SMILES for 2-(1H-indol-4-yl)-5-methoxybenzamide is COc1ccc(-c2cccc3[nH]ccc23)c(C(N)=O)c1.
What is the InChIKey of 2-(1H-indol-4-yl)-5-methoxybenzamide?
The InChIKey is GMECDRPVGHECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-10-5-6-12(14(9-10)16(17)19)11-3-2-4-15-13(11)7-8-18-15/h2-9,18H,1H3,(H2,17,19).
What are the key properties of 2-(1H-indol-4-yl)-5-methoxybenzamide?
2-(1H-indol-4-yl)-5-methoxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-5-methoxybenzamide is sourced from PubChem (CID 67929816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).