N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide

C18H19BrN2O2 — CID 17169215

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N/N=C/c2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H19BrN2O2/c1-12-4-9-17(10-13(12)2)23-14(3)18(22)21-20-11-15-5-7-16(19)8-6-15/h4-11,14H,1-3H3,(H,21,22)/b20-11+
InChIKeyYGTJAUAVRXBNKV-RGVLZGJSSA-N
MW375.27 g/mol
LogP3.98
Rot. Bonds5

About N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide

N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 17169215) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
PubChem CID17169215
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N/N=C/c2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H19BrN2O2/c1-12-4-9-17(10-13(12)2)23-14(3)18(22)21-20-11-15-5-7-16(19)8-6-15/h4-11,14H,1-3H3,(H,21,22)/b20-11+
InChIKeyYGTJAUAVRXBNKV-RGVLZGJSSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.98
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

(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide
CID 17169264
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 3678892
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide (CID 17169215) is N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)N/N=C/c2ccc(Br)cc2)cc1C.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is YGTJAUAVRXBNKV-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-4-9-17(10-13(12)2)23-14(3)18(22)21-20-11-15-5-7-16(19)8-6-15/h4-11,14H,1-3H3,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 375.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 17169215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).