N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide

C13H12N2O2 — CID 5402801

IUPACN-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccco2)cc1
InChIInChI=1S/C13H12N2O2/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9-
InChIKeyVNJKCISMYLGSHP-ZROIWOOFSA-N
MW228.25 g/mol
LogP2.35
Rot. Bonds3

About N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide

N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide (PubChem CID 5402801) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
PubChem CID5402801
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccco2)cc1
InChIInChI=1S/C13H12N2O2/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9-
InChIKeyVNJKCISMYLGSHP-ZROIWOOFSA-N
XLogP2.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide (CID 5402801) is N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2ccco2)cc1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide?
The InChIKey is VNJKCISMYLGSHP-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide?
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 5402801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).