4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

C17H17N3O3 — CID 920980

IUPAC4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)o1
InChIInChI=1S/C17H17N3O3/c1-11-2-9-15(23-11)10-18-20-17(22)13-5-7-14(8-6-13)19-16(21)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,19,21)(H,20,22)
InChIKeyIQRQVRWWSAQCIG-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.70
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 920980) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID920980
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)o1
InChIInChI=1S/C17H17N3O3/c1-11-2-9-15(23-11)10-18-20-17(22)13-5-7-14(8-6-13)19-16(21)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,19,21)(H,20,22)
InChIKeyIQRQVRWWSAQCIG-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 920980) is 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)o1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is IQRQVRWWSAQCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-2-9-15(23-11)10-18-20-17(22)13-5-7-14(8-6-13)19-16(21)12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 920980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).