N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide

C16H14BrFN2O3 — CID 9460639

IUPACN-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(Br)cc2F)c1
InChIInChI=1S/C16H14BrFN2O3/c1-22-13-5-11(6-14(8-13)23-2)16(21)20-19-9-10-3-4-12(17)7-15(10)18/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyKLDAQMWHDDUURO-OCKHKDLRSA-N
MW381.20 g/mol
LogP3.37
Rot. Bonds5

About N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 9460639) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID9460639
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC NameN-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(Br)cc2F)c1
InChIInChI=1S/C16H14BrFN2O3/c1-22-13-5-11(6-14(8-13)23-2)16(21)20-19-9-10-3-4-12(17)7-15(10)18/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyKLDAQMWHDDUURO-OCKHKDLRSA-N
XLogP3.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.37
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-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 6893140
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 6300994
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518529
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 135614429
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6079252
1-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9176236

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 9460639) is N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Br)cc2F)c1.
What is the InChIKey of N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is KLDAQMWHDDUURO-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-22-13-5-11(6-14(8-13)23-2)16(21)20-19-9-10-3-4-12(17)7-15(10)18/h3-9H,1-2H3,(H,20,21)/b19-9-.
What are the key properties of N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 381.20 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9460639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).