N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide

C18H18Br2N2O3 — CID 19170550

IUPACN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide
SMILESCOc1ccc(C=NNC(=O)C(C)Oc2ccc(C)cc2Br)cc1Br
InChIInChI=1S/C18H18Br2N2O3/c1-11-4-6-17(14(19)8-11)25-12(2)18(23)22-21-10-13-5-7-16(24-3)15(20)9-13/h4-10,12H,1-3H3,(H,22,23)
InChIKeyBOCZADQMPKWNHC-UHFFFAOYSA-N
MW470.16 g/mol
LogP4.45
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide (PubChem CID 19170550) has the molecular formula C18H18Br2N2O3 and a molecular weight of 470.16 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide
PubChem CID19170550
Molecular FormulaC18H18Br2N2O3
Molecular Weight470.16 g/mol
Exact Mass467.97
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide
SMILESCOc1ccc(C=NNC(=O)C(C)Oc2ccc(C)cc2Br)cc1Br
InChIInChI=1S/C18H18Br2N2O3/c1-11-4-6-17(14(19)8-11)25-12(2)18(23)22-21-10-13-5-7-16(24-3)15(20)9-13/h4-10,12H,1-3H3,(H,22,23)
InChIKeyBOCZADQMPKWNHC-UHFFFAOYSA-N
XLogP4.45
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.16
LogP ≤ 54.45
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

2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 2789102
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 19170462
2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
CID 19170531
(2R)-2-(2-bromo-4-methylphenoxy)-N-[(4-chloro-3-nitrophenyl)methylideneamino]propanamide
CID 1183451
2-(2-bromo-4-methylphenoxy)-N-[(4-chloro-3-nitrophenyl)methylideneamino]propanamide
CID 2789100
2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 135412132
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9176173
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176172
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide (CID 19170550) is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide is COc1ccc(C=NNC(=O)C(C)Oc2ccc(C)cc2Br)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide?
The InChIKey is BOCZADQMPKWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3/c1-11-4-6-17(14(19)8-11)25-12(2)18(23)22-21-10-13-5-7-16(24-3)15(20)9-13/h4-10,12H,1-3H3,(H,22,23).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide?
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide has a molecular weight of 470.16 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide is sourced from PubChem (CID 19170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).