5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide

C20H15BrClN3O5 — CID 59091783

IUPAC5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Br)o2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H15BrClN3O5/c1-29-17-9-13(24-20(28)16-6-7-18(21)30-16)4-2-12(17)10-23-25-19(27)11-3-5-15(26)14(22)8-11/h2-10,26H,1H3,(H,24,28)(H,25,27)/b23-10+
InChIKeyFOPBUGJRGVTDRM-AUEPDCJTSA-N
MW492.71 g/mol
LogP4.43
Rot. Bonds6

About 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide

5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide (PubChem CID 59091783) has the molecular formula C20H15BrClN3O5 and a molecular weight of 492.71 g/mol. Its IUPAC name is 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide
PubChem CID59091783
Molecular FormulaC20H15BrClN3O5
Molecular Weight492.71 g/mol
Exact Mass490.99
IUPAC Name5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Br)o2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H15BrClN3O5/c1-29-17-9-13(24-20(28)16-6-7-18(21)30-16)4-2-12(17)10-23-25-19(27)11-3-5-15(26)14(22)8-11/h2-10,26H,1H3,(H,24,28)(H,25,27)/b23-10+
InChIKeyFOPBUGJRGVTDRM-AUEPDCJTSA-N
XLogP4.43
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-chloro-N-[(E)-[4-[(3-cyanobenzoyl)amino]-2-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 22999322
3-chloro-N-[(E)-[4-[[2-(3-chlorophenyl)acetyl]amino]-2-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 22999330
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
N-[4-[[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-chlorobenzamide
CID 171134368
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide (CID 59091783) is 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(Br)o2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide?
The InChIKey is FOPBUGJRGVTDRM-AUEPDCJTSA-N. The full InChI is InChI=1S/C20H15BrClN3O5/c1-29-17-9-13(24-20(28)16-6-7-18(21)30-16)4-2-12(17)10-23-25-19(27)11-3-5-15(26)14(22)8-11/h2-10,26H,1H3,(H,24,28)(H,25,27)/b23-10+.
What are the key properties of 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide?
5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide has a molecular weight of 492.71 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-3-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 59091783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).