N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide

C16H15F2N3O2 — CID 138043810

IUPACN-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N/N=C/c2c(F)ccc(O)c2F)c1
InChIInChI=1S/C16H15F2N3O2/c1-21(2)11-5-3-4-10(8-11)16(23)20-19-9-12-13(17)6-7-14(22)15(12)18/h3-9,22H,1-2H3,(H,20,23)/b19-9+
InChIKeyVPNQONXXLSZZTM-DJKKODMXSA-N
MW319.31 g/mol
LogP2.50
Rot. Bonds4

About N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide

N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide (PubChem CID 138043810) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
PubChem CID138043810
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N/N=C/c2c(F)ccc(O)c2F)c1
InChIInChI=1S/C16H15F2N3O2/c1-21(2)11-5-3-4-10(8-11)16(23)20-19-9-12-13(17)6-7-14(22)15(12)18/h3-9,22H,1-2H3,(H,20,23)/b19-9+
InChIKeyVPNQONXXLSZZTM-DJKKODMXSA-N
XLogP2.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.50
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

3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 137065890
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131
3-(dimethylamino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 5455221
3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
CID 6875121
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
2-chloro-3-[(E)-[[3-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 138041436
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide (CID 138043810) is N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)N/N=C/c2c(F)ccc(O)c2F)c1.
What is the InChIKey of N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide?
The InChIKey is VPNQONXXLSZZTM-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-21(2)11-5-3-4-10(8-11)16(23)20-19-9-12-13(17)6-7-14(22)15(12)18/h3-9,22H,1-2H3,(H,20,23)/b19-9+.
What are the key properties of N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide?
N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide has a molecular weight of 319.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide is sourced from PubChem (CID 138043810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).