4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide

C18H11BrCl2N2O2 — CID 2246358

IUPAC4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1
InChIInChI=1S/C18H11BrCl2N2O2/c19-12-6-4-11(5-7-12)18(24)23-22-10-13-8-9-16(25-13)14-2-1-3-15(20)17(14)21/h1-10H,(H,23,24)
InChIKeyCVWYHVVWHSQRMS-UHFFFAOYSA-N
MW438.11 g/mol
LogP5.78
Rot. Bonds4

About 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide

4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 2246358) has the molecular formula C18H11BrCl2N2O2 and a molecular weight of 438.11 g/mol. Its IUPAC name is 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID2246358
Molecular FormulaC18H11BrCl2N2O2
Molecular Weight438.11 g/mol
Exact Mass435.94
IUPAC Name4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1
InChIInChI=1S/C18H11BrCl2N2O2/c19-12-6-4-11(5-7-12)18(24)23-22-10-13-8-9-16(25-13)14-2-1-3-15(20)17(14)21/h1-10H,(H,23,24)
InChIKeyCVWYHVVWHSQRMS-UHFFFAOYSA-N
XLogP5.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.11
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 51042923
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126020919
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886171
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060910
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
3-[5-[[(3-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoic acid
CID 4078122
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide (CID 2246358) is 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is CVWYHVVWHSQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl2N2O2/c19-12-6-4-11(5-7-12)18(24)23-22-10-13-8-9-16(25-13)14-2-1-3-15(20)17(14)21/h1-10H,(H,23,24).
What are the key properties of 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 438.11 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 2246358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).