3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide

C16H18N4O3 — CID 5427617

IUPAC3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N(C)C)o2)c1
InChIInChI=1S/C16H18N4O3/c1-11(21)18-13-6-4-5-12(9-13)16(22)19-17-10-14-7-8-15(23-14)20(2)3/h4-10H,1-3H3,(H,18,21)(H,19,22)/b17-10-
InChIKeyQHNSBZTVYWEXAW-YVLHZVERSA-N
MW314.35 g/mol
LogP2.07
Rot. Bonds5

About 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide

3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide (PubChem CID 5427617) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
PubChem CID5427617
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N(C)C)o2)c1
InChIInChI=1S/C16H18N4O3/c1-11(21)18-13-6-4-5-12(9-13)16(22)19-17-10-14-7-8-15(23-14)20(2)3/h4-10H,1-3H3,(H,18,21)(H,19,22)/b17-10-
InChIKeyQHNSBZTVYWEXAW-YVLHZVERSA-N
XLogP2.07
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
2-[5-[[(3-acetamidobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3311637
N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 126003956
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-4-iodo-3-methoxybenzamide
CID 91991416
3-acetamido-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6293347
3-acetamido-N-[[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
CID 4650922
3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3917613
3-acetamido-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4316328
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide (CID 5427617) is 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N(C)C)o2)c1.
What is the InChIKey of 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide?
The InChIKey is QHNSBZTVYWEXAW-YVLHZVERSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11(21)18-13-6-4-5-12(9-13)16(22)19-17-10-14-7-8-15(23-14)20(2)3/h4-10H,1-3H3,(H,18,21)(H,19,22)/b17-10-.
What are the key properties of 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide?
3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide has a molecular weight of 314.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 5427617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).