2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide

C14H14N4O4 — CID 5392442

IUPAC2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H14N4O4/c1-10-2-4-11(5-3-10)15-9-13(19)17-16-8-12-6-7-14(22-12)18(20)21/h2-8,15H,9H2,1H3,(H,17,19)/b16-8-
InChIKeyMUHBZXWIFFRFDF-PXNMLYILSA-N
MW302.29 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide

2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide (PubChem CID 5392442) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
PubChem CID5392442
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H14N4O4/c1-10-2-4-11(5-3-10)15-9-13(19)17-16-8-12-6-7-14(22-12)18(20)21/h2-8,15H,9H2,1H3,(H,17,19)/b16-8-
InChIKeyMUHBZXWIFFRFDF-PXNMLYILSA-N
XLogP2.06
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide
CID 6875690
N-(2-fluorophenyl)-2-[(2E)-2-{[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-2-oxoacetamide
CID 6866730
4-[[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
CID 6881729
N'-[(5-methyl-2-furyl)methylene]-3-nitrobenzohydrazide
CID 6871954
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
N'-[(5-nitro-2-furyl)methylene]benzohydrazide
CID 5331853
Methyl-[(5-nitro-2-furyl)methyleneamino]-phenyl-amine
CID 5333847
N-[1-({2-[(5-bromo-2-furyl)methylene]hydrazino}carbonyl)-2-(4-nitrophenyl)vinyl]benzamide
CID 5335821
2,5-dimethyl-N'-[(E)-(4-nitrophenyl)methylidene]furan-3-carbohydrazide
CID 5761105
2-{3-nitroanilino}-N'-({5-nitro-2-furyl}methylene)acetohydrazide
CID 6872741
2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6884367
2-(naphthalen-2-ylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]acetohydrazide (non-preferred name)
CID 6884770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide (CID 5392442) is 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is Cc1ccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The InChIKey is MUHBZXWIFFRFDF-PXNMLYILSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-10-2-4-11(5-3-10)15-9-13(19)17-16-8-12-6-7-14(22-12)18(20)21/h2-8,15H,9H2,1H3,(H,17,19)/b16-8-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide has a molecular weight of 302.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5392442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).