N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C23H16BrClN2O3 — CID 3645781

IUPACN-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C23H16BrClN2O3/c1-29-22-12-15-5-3-2-4-14(15)10-18(22)23(28)27-26-13-17-7-9-21(30-17)16-6-8-19(24)20(25)11-16/h2-13H,1H3,(H,27,28)
InChIKeyHKQPOJMBVJUUAN-UHFFFAOYSA-N
MW483.75 g/mol
LogP6.29
Rot. Bonds5

About N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 3645781) has the molecular formula C23H16BrClN2O3 and a molecular weight of 483.75 g/mol. Its IUPAC name is N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID3645781
Molecular FormulaC23H16BrClN2O3
Molecular Weight483.75 g/mol
Exact Mass482.00
IUPAC NameN-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C23H16BrClN2O3/c1-29-22-12-15-5-3-2-4-14(15)10-18(22)23(28)27-26-13-17-7-9-21(30-17)16-6-8-19(24)20(25)11-16/h2-13H,1H3,(H,27,28)
InChIKeyHKQPOJMBVJUUAN-UHFFFAOYSA-N
XLogP6.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.75
LogP ≤ 56.29
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-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6087182
2-chloro-4-[5-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3429403
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6109398
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 126027660
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168358
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135613420
2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126048390

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 3645781) is N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1.
What is the InChIKey of N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is HKQPOJMBVJUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN2O3/c1-29-22-12-15-5-3-2-4-14(15)10-18(22)23(28)27-26-13-17-7-9-21(30-17)16-6-8-19(24)20(25)11-16/h2-13H,1H3,(H,27,28).
What are the key properties of N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 483.75 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3645781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).