N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide

C14H14IN3O3 — CID 126003956

IUPACN-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccc(I)c(O)c2)o1
InChIInChI=1S/C14H14IN3O3/c1-18(2)13-6-4-10(21-13)8-16-17-14(20)9-3-5-11(15)12(19)7-9/h3-8,19H,1-2H3,(H,17,20)/b16-8-
InChIKeyNUOGYCMEVLVVPG-PXNMLYILSA-N
MW399.19 g/mol
LogP2.42
Rot. Bonds4

About N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide

N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide (PubChem CID 126003956) has the molecular formula C14H14IN3O3 and a molecular weight of 399.19 g/mol. Its IUPAC name is N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
PubChem CID126003956
Molecular FormulaC14H14IN3O3
Molecular Weight399.19 g/mol
Exact Mass399.01
IUPAC NameN-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccc(I)c(O)c2)o1
InChIInChI=1S/C14H14IN3O3/c1-18(2)13-6-4-10(21-13)8-16-17-14(20)9-3-5-11(15)12(19)7-9/h3-8,19H,1-2H3,(H,17,20)/b16-8-
InChIKeyNUOGYCMEVLVVPG-PXNMLYILSA-N
XLogP2.42
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 52.42
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-4-iodo-3-methoxybenzamide
CID 91991416
3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
CID 5427617
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 74017319
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
CID 126005472
N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048923
N-[(Z)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-hydroxy-4-iodobenzamide
CID 126074993
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-diiodobenzamide
CID 13443213
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 126003005
2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 91991158
2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 6069375
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide (CID 126003956) is N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is CN(C)c1ccc(/C=N\NC(=O)c2ccc(I)c(O)c2)o1.
What is the InChIKey of N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The InChIKey is NUOGYCMEVLVVPG-PXNMLYILSA-N. The full InChI is InChI=1S/C14H14IN3O3/c1-18(2)13-6-4-10(21-13)8-16-17-14(20)9-3-5-11(15)12(19)7-9/h3-8,19H,1-2H3,(H,17,20)/b16-8-.
What are the key properties of N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide?
N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide has a molecular weight of 399.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 126003956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).