1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide

C24H19N3O2 — CID 55799975

IUPAC1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C24H19N3O2/c25-13-14-29-21-11-6-10-20(16-21)26-24(28)23-15-19-9-4-5-12-22(19)27(23)17-18-7-2-1-3-8-18/h1-12,15-16H,14,17H2,(H,26,28)
InChIKeyFNEIMDOAWLLLKA-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.84
Rot. Bonds6

About 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide

1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide (PubChem CID 55799975) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide
PubChem CID55799975
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C24H19N3O2/c25-13-14-29-21-11-6-10-20(16-21)26-24(28)23-15-19-9-4-5-12-22(19)27(23)17-18-7-2-1-3-8-18/h1-12,15-16H,14,17H2,(H,26,28)
InChIKeyFNEIMDOAWLLLKA-UHFFFAOYSA-N
XLogP4.84
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
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CID 55800345
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 62298914
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide
CID 43369164

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide (CID 55799975) is 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide is N#CCOc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide?
The InChIKey is FNEIMDOAWLLLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-13-14-29-21-11-6-10-20(16-21)26-24(28)23-15-19-9-4-5-12-22(19)27(23)17-18-7-2-1-3-8-18/h1-12,15-16H,14,17H2,(H,26,28).
What are the key properties of 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide?
1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide is sourced from PubChem (CID 55799975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).