N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide

C13H11FN2O2S — CID 119055652

IUPACN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(F)s2)c1
InChIInChI=1S/C13H11FN2O2S/c1-18-10-4-2-3-9(7-10)13(17)16-15-8-11-5-6-12(14)19-11/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyXKDOTFLGHAAOTN-OVCLIPMQSA-N
MW278.31 g/mol
LogP2.66
Rot. Bonds4

About N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide

N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide (PubChem CID 119055652) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
PubChem CID119055652
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC NameN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(F)s2)c1
InChIInChI=1S/C13H11FN2O2S/c1-18-10-4-2-3-9(7-10)13(17)16-15-8-11-5-6-12(14)19-11/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyXKDOTFLGHAAOTN-OVCLIPMQSA-N
XLogP2.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
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

N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
4-fluoro-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]benzamide
CID 124854267
N-[(5-fluorothiophen-2-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171130813
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide
CID 171130841
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide (CID 119055652) is N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2ccc(F)s2)c1.
What is the InChIKey of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide?
The InChIKey is XKDOTFLGHAAOTN-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-18-10-4-2-3-9(7-10)13(17)16-15-8-11-5-6-12(14)19-11/h2-8H,1H3,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide?
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 119055652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).