N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide

C15H15N3O3 — CID 5416550

IUPACN-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C\c2ccco2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-14(19)17-12-7-5-11(6-8-12)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyKPZUTQHQTWPGDO-YBEGLDIGSA-N
MW285.30 g/mol
LogP2.39
Rot. Bonds5

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

N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide (PubChem CID 5416550) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
PubChem CID5416550
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C\c2ccco2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-14(19)17-12-7-5-11(6-8-12)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyKPZUTQHQTWPGDO-YBEGLDIGSA-N
XLogP2.39
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3584762
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide (CID 5416550) is N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccco2)cc1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is KPZUTQHQTWPGDO-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-14(19)17-12-7-5-11(6-8-12)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20)/b16-10-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide?
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 5416550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).