N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

C18H20BrN3O3 — CID 4086824

IUPACN-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1cc(OC)c(C=NNC(=O)CNc2ccc(C)cc2)cc1Br
InChIInChI=1S/C18H20BrN3O3/c1-12-4-6-14(7-5-12)20-11-18(23)22-21-10-13-8-15(19)17(25-3)9-16(13)24-2/h4-10,20H,11H2,1-3H3,(H,22,23)
InChIKeyYURHZEVCWSCPQN-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.34
Rot. Bonds7

About N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 4086824) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID4086824
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC NameN-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1cc(OC)c(C=NNC(=O)CNc2ccc(C)cc2)cc1Br
InChIInChI=1S/C18H20BrN3O3/c1-12-4-6-14(7-5-12)20-11-18(23)22-21-10-13-8-15(19)17(25-3)9-16(13)24-2/h4-10,20H,11H2,1-3H3,(H,22,23)
InChIKeyYURHZEVCWSCPQN-UHFFFAOYSA-N
XLogP3.34
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
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)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 98097976
N-[2-[(2E)-2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 6877091
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135541715
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
[2-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 5430601
2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 2249798
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 4086824) is N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is COc1cc(OC)c(C=NNC(=O)CNc2ccc(C)cc2)cc1Br.
What is the InChIKey of N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is YURHZEVCWSCPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-12-4-6-14(7-5-12)20-11-18(23)22-21-10-13-8-15(19)17(25-3)9-16(13)24-2/h4-10,20H,11H2,1-3H3,(H,22,23).
What are the key properties of N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 406.28 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 4086824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).