2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide

C15H14N4O4 — CID 122143368

IUPAC2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cc(C#N)ccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C15H14N4O4/c1-10(15(20)17-9-12-3-2-6-23-12)18-13-7-11(8-16)4-5-14(13)19(21)22/h2-7,10,18H,9H2,1H3,(H,17,20)
InChIKeyWUULQKRIUKRITH-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.18
Rot. Bonds6

About 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide

2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 122143368) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID122143368
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cc(C#N)ccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C15H14N4O4/c1-10(15(20)17-9-12-3-2-6-23-12)18-13-7-11(8-16)4-5-14(13)19(21)22/h2-7,10,18H,9H2,1H3,(H,17,20)
InChIKeyWUULQKRIUKRITH-UHFFFAOYSA-N
XLogP2.18
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
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'}

Analyze 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-cyano-2-nitroanilino)-N-propylpropanamide
CID 104713564
2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide
CID 107798093
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide
CID 104713833
4-(furan-2-ylmethylsulfanyl)-3-nitrobenzonitrile
CID 5077347
2-[(4-amino-5-nitropyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133276828
3-(5-cyano-2-nitroanilino)-4-methylpentanoic acid
CID 104713077
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
CID 4943832
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 41143393

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide (CID 122143368) is 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide is CC(Nc1cc(C#N)ccc1[N+](=O)[O-])C(=O)NCc1ccco1.
What is the InChIKey of 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is WUULQKRIUKRITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-10(15(20)17-9-12-3-2-6-23-12)18-13-7-11(8-16)4-5-14(13)19(21)22/h2-7,10,18H,9H2,1H3,(H,17,20).
What are the key properties of 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide?
2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 314.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 122143368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).