2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

C16H14BrClN2O3 — CID 139301919

IUPAC2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(Cl)cc(C=NNC(=O)c2ccccc2Br)c1O
InChIInChI=1S/C16H14BrClN2O3/c1-2-23-14-8-11(18)7-10(15(14)21)9-19-20-16(22)12-5-3-4-6-13(12)17/h3-9,21H,2H2,1H3,(H,20,22)
InChIKeyMDUAMRKTHWCYCC-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.97
Rot. Bonds5

About 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 139301919) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID139301919
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(Cl)cc(C=NNC(=O)c2ccccc2Br)c1O
InChIInChI=1S/C16H14BrClN2O3/c1-2-23-14-8-11(18)7-10(15(14)21)9-19-20-16(22)12-5-3-4-6-13(12)17/h3-9,21H,2H2,1H3,(H,20,22)
InChIKeyMDUAMRKTHWCYCC-UHFFFAOYSA-N
XLogP3.97
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853
2-bromo-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135926011
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 135578366
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281
2-bromo-N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29147130
2-bromobenzohydrazide;2-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide;bis(2,3-dichloro-5-ethoxy-6-hydroxybenzaldehyde);3-ethoxy-2-hydroxybenzaldehyde
CID 172955945
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884091
2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135821657
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (CID 139301919) is 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(Cl)cc(C=NNC(=O)c2ccccc2Br)c1O.
What is the InChIKey of 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is MDUAMRKTHWCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-2-23-14-8-11(18)7-10(15(14)21)9-19-20-16(22)12-5-3-4-6-13(12)17/h3-9,21H,2H2,1H3,(H,20,22).
What are the key properties of 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 397.66 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 139301919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).