N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide

C17H18BrN3O3 — CID 4991681

IUPACN-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCOc1c(O)cc(C=NNC(=O)CNc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H18BrN3O3/c1-11-4-3-5-13(6-11)19-10-16(23)21-20-9-12-7-14(18)17(24-2)15(22)8-12/h3-9,19,22H,10H2,1-2H3,(H,21,23)
InChIKeySLHQITIHWCYPAD-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.03
Rot. Bonds6

About N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide

N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 4991681) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
PubChem CID4991681
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC NameN-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCOc1c(O)cc(C=NNC(=O)CNc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H18BrN3O3/c1-11-4-3-5-13(6-11)19-10-16(23)21-20-9-12-7-14(18)17(24-2)15(22)8-12/h3-9,19,22H,10H2,1-2H3,(H,21,23)
InChIKeySLHQITIHWCYPAD-UHFFFAOYSA-N
XLogP3.03
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(Z)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-iodo-3-methylanilino)acetamide
CID 5498614
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 3675951
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 825894
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 758746
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-chloroanilino)acetamide
CID 136697648
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946
N-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521
[2-methoxy-4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3649631
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide (CID 4991681) is N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is COc1c(O)cc(C=NNC(=O)CNc2cccc(C)c2)cc1Br.
What is the InChIKey of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is SLHQITIHWCYPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-11-4-3-5-13(6-11)19-10-16(23)21-20-9-12-7-14(18)17(24-2)15(22)8-12/h3-9,19,22H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide?
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 392.25 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 4991681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).