5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide

C19H14BrFN2O3 — CID 126027660

IUPAC5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H14BrFN2O3/c1-25-18-7-5-13(20)10-16(18)19(24)23-22-11-15-6-8-17(26-15)12-3-2-4-14(21)9-12/h2-11H,1H3,(H,23,24)/b22-11-
InChIKeyXQCKWKVVJAHBOD-JJFYIABZSA-N
MW417.23 g/mol
LogP4.62
Rot. Bonds5

About 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide

5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide (PubChem CID 126027660) has the molecular formula C19H14BrFN2O3 and a molecular weight of 417.23 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
PubChem CID126027660
Molecular FormulaC19H14BrFN2O3
Molecular Weight417.23 g/mol
Exact Mass416.02
IUPAC Name5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H14BrFN2O3/c1-25-18-7-5-13(20)10-16(18)19(24)23-22-11-15-6-8-17(26-15)12-3-2-4-14(21)9-12/h2-11H,1H3,(H,23,24)/b22-11-
InChIKeyXQCKWKVVJAHBOD-JJFYIABZSA-N
XLogP4.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 54.62
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

2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126021004
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
methyl 3-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 98089013
methyl N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883365
N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3645781
3-[5-[[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3385327
ethyl 3-[5-[[(2-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3598740
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide
CID 126193344
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
ethyl 3-[5-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126184157
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6087182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide (CID 126027660) is 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)N/N=C\c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
The InChIKey is XQCKWKVVJAHBOD-JJFYIABZSA-N. The full InChI is InChI=1S/C19H14BrFN2O3/c1-25-18-7-5-13(20)10-16(18)19(24)23-22-11-15-6-8-17(26-15)12-3-2-4-14(21)9-12/h2-11H,1H3,(H,23,24)/b22-11-.
What are the key properties of 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide has a molecular weight of 417.23 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 126027660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).