3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide

C22H20N2O5 — CID 1192874

IUPAC3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-27-17-9-13(10-18(28-2)20(17)29-3)21(25)23-11-12-7-8-16-19-14(12)5-4-6-15(19)22(26)24-16/h4-10H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLMBFPNPLBCMGJF-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.36
Rot. Bonds6

About 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide (PubChem CID 1192874) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
PubChem CID1192874
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-27-17-9-13(10-18(28-2)20(17)29-3)21(25)23-11-12-7-8-16-19-14(12)5-4-6-15(19)22(26)24-16/h4-10H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLMBFPNPLBCMGJF-UHFFFAOYSA-N
XLogP3.36
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
CID 696706
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 110182047
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethoxybenzamide
CID 110783214
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide
CID 142154541

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide (CID 1192874) is 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide is COc1cc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
The InChIKey is LMBFPNPLBCMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-27-17-9-13(10-18(28-2)20(17)29-3)21(25)23-11-12-7-8-16-19-14(12)5-4-6-15(19)22(26)24-16/h4-10H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide is sourced from PubChem (CID 1192874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).