N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide

C18H18BrClN2O2 — CID 3534165

IUPACN-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrClN2O2/c1-11-10-16(20)8-9-17(11)24-13(3)18(23)22-21-12(2)14-4-6-15(19)7-5-14/h4-10,13H,1-3H3,(H,22,23)
InChIKeyWLZSOQAIBIIOJO-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.72
Rot. Bonds5

About N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide

N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 3534165) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID3534165
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrClN2O2/c1-11-10-16(20)8-9-17(11)24-13(3)18(23)22-21-12(2)14-4-6-15(19)7-5-14/h4-10,13H,1-3H3,(H,22,23)
InChIKeyWLZSOQAIBIIOJO-UHFFFAOYSA-N
XLogP4.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3405281
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
2-(4-chloro-2-methylphenoxy)-N-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 5122020
N-[1-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 4113507
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
CID 7114974
N-[(E)-1-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]ethylideneamino]furan-2-carboxamide
CID 17373926
N-[(Z)-1-[4-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 28873113
1-(4-bromophenyl)-3-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]thiourea
CID 1295614
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide (CID 3534165) is N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide is CC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is WLZSOQAIBIIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O2/c1-11-10-16(20)8-9-17(11)24-13(3)18(23)22-21-12(2)14-4-6-15(19)7-5-14/h4-10,13H,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 409.71 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 3534165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).