3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide

C20H16N2O3 — CID 696706

IUPAC3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C20H16N2O3/c1-25-14-5-2-4-12(10-14)19(23)21-11-13-8-9-17-18-15(13)6-3-7-16(18)20(24)22-17/h2-10H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyMOWFZIZHEDPPLV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.34
Rot. Bonds4

About 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide

3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide (PubChem CID 696706) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
PubChem CID696706
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C20H16N2O3/c1-25-14-5-2-4-12(10-14)19(23)21-11-13-8-9-17-18-15(13)6-3-7-16(18)20(24)22-17/h2-10H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyMOWFZIZHEDPPLV-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
CID 1192874
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
CID 91476634
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
ethane;N-[[3-[(4-methoxyphenyl)methyl]phenyl]methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 145277824
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4196663
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide (CID 696706) is 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide is COc1cccc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
The InChIKey is MOWFZIZHEDPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-25-14-5-2-4-12(10-14)19(23)21-11-13-8-9-17-18-15(13)6-3-7-16(18)20(24)22-17/h2-10H,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide?
3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide is sourced from PubChem (CID 696706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).