2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide

C21H17N5O3 — CID 9106651

IUPAC2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1
InChIInChI=1S/C21H17N5O3/c22-13-15-5-4-8-17(11-15)25-21(27)14-23-20-12-18(26(28)29)9-10-19(20)24-16-6-2-1-3-7-16/h1-12,23-24H,14H2,(H,25,27)
InChIKeyHEJSSGCYBPVJOU-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.26
Rot. Bonds7

About 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide

2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 9106651) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide
PubChem CID9106651
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1
InChIInChI=1S/C21H17N5O3/c22-13-15-5-4-8-17(11-15)25-21(27)14-23-20-12-18(26(28)29)9-10-19(20)24-16-6-2-1-3-7-16/h1-12,23-24H,14H2,(H,25,27)
InChIKeyHEJSSGCYBPVJOU-UHFFFAOYSA-N
XLogP4.26
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide
CID 9106654
2-(2-anilino-5-nitroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 17407591
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
CID 107789540
N-(3-cyanophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 7854368
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide (CID 9106651) is 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1.
What is the InChIKey of 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is HEJSSGCYBPVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c22-13-15-5-4-8-17(11-15)25-21(27)14-23-20-12-18(26(28)29)9-10-19(20)24-16-6-2-1-3-7-16/h1-12,23-24H,14H2,(H,25,27).
What are the key properties of 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide?
2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide has a molecular weight of 387.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-5-nitroanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 9106651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).