N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide

C19H15N5O4 — CID 4266153

IUPACN-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESN#CCn1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C19H15N5O4/c20-9-10-23-12-14(15-5-1-2-6-16(15)23)11-21-22-19(25)13-28-18-8-4-3-7-17(18)24(26)27/h1-8,11-12H,10,13H2,(H,22,25)
InChIKeyUXTOKHJVYHXJOX-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.60
Rot. Bonds7

About N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 4266153) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID4266153
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC NameN-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESN#CCn1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C19H15N5O4/c20-9-10-23-12-14(15-5-1-2-6-16(15)23)11-21-22-19(25)13-28-18-8-4-3-7-17(18)24(26)27/h1-8,11-12H,10,13H2,(H,22,25)
InChIKeyUXTOKHJVYHXJOX-UHFFFAOYSA-N
XLogP2.60
TPSA122.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
CID 831295
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 19190815
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 3429535

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 4266153) is N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide is N#CCn1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is UXTOKHJVYHXJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c20-9-10-23-12-14(15-5-1-2-6-16(15)23)11-21-22-19(25)13-28-18-8-4-3-7-17(18)24(26)27/h1-8,11-12H,10,13H2,(H,22,25).
What are the key properties of N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 377.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 4266153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).