4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide

C17H17N3O3 — CID 921018

IUPAC4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-11(15-3-2-10-23-15)19-20-17(22)13-6-8-14(9-7-13)18-16(21)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,18,21)(H,20,22)
InChIKeyYSCKVWGRLLHZMB-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.78
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide (PubChem CID 921018) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
PubChem CID921018
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-11(15-3-2-10-23-15)19-20-17(22)13-6-8-14(9-7-13)18-16(21)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,18,21)(H,20,22)
InChIKeyYSCKVWGRLLHZMB-UHFFFAOYSA-N
XLogP2.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.78
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-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 1272797
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135560459

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide (CID 921018) is 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccco1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide?
The InChIKey is YSCKVWGRLLHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(15-3-2-10-23-15)19-20-17(22)13-6-8-14(9-7-13)18-16(21)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,18,21)(H,20,22).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 921018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).