4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide

C16H16N2O3 — CID 9391276

IUPAC4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
SMILESC[C@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(O)cc2)o1
InChIInChI=1S/C16H16N2O3/c1-10-8-14(10)15-7-6-13(21-15)9-17-18-16(20)11-2-4-12(19)5-3-11/h2-7,9-10,14,19H,8H2,1H3,(H,18,20)/b17-9-/t10-,14-/m0/s1
InChIKeySGHHASMBSMWNJC-CUTXFRRPSA-N
MW284.31 g/mol
LogP2.87
Rot. Bonds4

About 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide

4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 9391276) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
PubChem CID9391276
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
SMILESC[C@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(O)cc2)o1
InChIInChI=1S/C16H16N2O3/c1-10-8-14(10)15-7-6-13(21-15)9-17-18-16(20)11-2-4-12(19)5-3-11/h2-7,9-10,14,19H,8H2,1H3,(H,18,20)/b17-9-/t10-,14-/m0/s1
InChIKeySGHHASMBSMWNJC-CUTXFRRPSA-N
XLogP2.87
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.87
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-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 9391848
3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391704
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
CID 9395667
4-ethoxy-3-methoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9396092
3-methoxy-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9396622
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 9391598
4-amino-3,5,6-trichloro-N-[(E)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135590406
5-ethyl-4-methyl-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9396442

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide (CID 9391276) is 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide is C[C@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(O)cc2)o1.
What is the InChIKey of 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is SGHHASMBSMWNJC-CUTXFRRPSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-8-14(10)15-7-6-13(21-15)9-17-18-16(20)11-2-4-12(19)5-3-11/h2-7,9-10,14,19H,8H2,1H3,(H,18,20)/b17-9-/t10-,14-/m0/s1.
What are the key properties of 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 9391276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).