2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide

C28H23N3O — CID 19060960

IUPAC2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
SMILESCc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C28H23N3O/c1-20-9-2-4-13-24(20)28(32)30-29-17-23-19-31(27-16-7-6-15-26(23)27)18-22-12-8-11-21-10-3-5-14-25(21)22/h2-17,19H,18H2,1H3,(H,30,32)/b29-17+
InChIKeyUEYMXCVVXXPRNH-STBIYBPSSA-N
MW417.51 g/mol
LogP5.92
Rot. Bonds5

About 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide

2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide (PubChem CID 19060960) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
PubChem CID19060960
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
SMILESCc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C28H23N3O/c1-20-9-2-4-13-24(20)28(32)30-29-17-23-19-31(27-16-7-6-15-26(23)27)18-22-12-8-11-21-10-3-5-14-25(21)22/h2-17,19H,18H2,1H3,(H,30,32)/b29-17+
InChIKeyUEYMXCVVXXPRNH-STBIYBPSSA-N
XLogP5.92
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 17126770
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 6187592
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3389420
N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 126184329
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126220780
N-[[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4665748
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
5-bromo-7-iodo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide (CID 19060960) is 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide is Cc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
The InChIKey is UEYMXCVVXXPRNH-STBIYBPSSA-N. The full InChI is InChI=1S/C28H23N3O/c1-20-9-2-4-13-24(20)28(32)30-29-17-23-19-31(27-16-7-6-15-26(23)27)18-22-12-8-11-21-10-3-5-14-25(21)22/h2-17,19H,18H2,1H3,(H,30,32)/b29-17+.
What are the key properties of 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide?
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 19060960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).