2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide

C18H20BrN3O2 — CID 2853248

IUPAC2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C18H20BrN3O2/c1-13(24-17-10-6-15(19)7-11-17)18(23)21-20-12-14-4-8-16(9-5-14)22(2)3/h4-13H,1-3H3,(H,21,23)
InChIKeyJAUZJGJHLADFQZ-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide

2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide (PubChem CID 2853248) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
PubChem CID2853248
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C18H20BrN3O2/c1-13(24-17-10-6-15(19)7-11-17)18(23)21-20-12-14-4-8-16(9-5-14)22(2)3/h4-13H,1-3H3,(H,21,23)
InChIKeyJAUZJGJHLADFQZ-UHFFFAOYSA-N
XLogP3.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.43
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-(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
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 3678892
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide (CID 2853248) is 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NN=Cc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide?
The InChIKey is JAUZJGJHLADFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-13(24-17-10-6-15(19)7-11-17)18(23)21-20-12-14-4-8-16(9-5-14)22(2)3/h4-13H,1-3H3,(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide?
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide has a molecular weight of 390.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide is sourced from PubChem (CID 2853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).