4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide

C16H15N3O3 — CID 6875716

IUPAC4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H15N3O3/c20-15(11-3-4-11)18-13-7-5-12(6-8-13)16(21)19-17-10-14-2-1-9-22-14/h1-2,5-11H,3-4H2,(H,18,20)(H,19,21)/b17-10+
InChIKeyXJBPSLIWSJVPQA-LICLKQGHSA-N
MW297.31 g/mol
LogP2.39
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide (PubChem CID 6875716) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
PubChem CID6875716
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H15N3O3/c20-15(11-3-4-11)18-13-7-5-12(6-8-13)16(21)19-17-10-14-2-1-9-22-14/h1-2,5-11H,3-4H2,(H,18,20)(H,19,21)/b17-10+
InChIKeyXJBPSLIWSJVPQA-LICLKQGHSA-N
XLogP2.39
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
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-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
CID 921018
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide (CID 6875716) is 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccco1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is XJBPSLIWSJVPQA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(11-3-4-11)18-13-7-5-12(6-8-13)16(21)19-17-10-14-2-1-9-22-14/h1-2,5-11H,3-4H2,(H,18,20)(H,19,21)/b17-10+.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 297.31 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 4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6875716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).