N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide

C16H15FN2O3 — CID 2641916

IUPACN-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C16H15FN2O3/c1-21-14-7-11(8-15(9-14)22-2)10-18-19-16(20)12-3-5-13(17)6-4-12/h3-10H,1-2H3,(H,19,20)
InChIKeyPPTPRVFCJKKGRW-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.61
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide

N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 2641916) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
PubChem CID2641916
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C16H15FN2O3/c1-21-14-7-11(8-15(9-14)22-2)10-18-19-16(20)12-3-5-13(17)6-4-12/h3-10H,1-2H3,(H,19,20)
InChIKeyPPTPRVFCJKKGRW-UHFFFAOYSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.61
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

4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(3,5-dimethoxyphenyl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
CID 6735610
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(E)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 6133035

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide (CID 2641916) is N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide is COc1cc(C=NNC(=O)c2ccc(F)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is PPTPRVFCJKKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-21-14-7-11(8-15(9-14)22-2)10-18-19-16(20)12-3-5-13(17)6-4-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide has a molecular weight of 302.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 2641916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).