2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide

C16H13BrCl2N2O2 — CID 4671273

IUPAC2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H13BrCl2N2O2/c1-10(23-13-7-5-12(17)6-8-13)16(22)21-20-9-11-3-2-4-14(18)15(11)19/h2-10H,1H3,(H,21,22)
InChIKeyKSTGLQAFUTWIIO-UHFFFAOYSA-N
MW416.10 g/mol
LogP4.67
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide

2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide (PubChem CID 4671273) has the molecular formula C16H13BrCl2N2O2 and a molecular weight of 416.10 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
PubChem CID4671273
Molecular FormulaC16H13BrCl2N2O2
Molecular Weight416.10 g/mol
Exact Mass413.95
IUPAC Name2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H13BrCl2N2O2/c1-10(23-13-7-5-12(17)6-8-13)16(22)21-20-9-11-3-2-4-14(18)15(11)19/h2-10H,1H3,(H,21,22)
InChIKeyKSTGLQAFUTWIIO-UHFFFAOYSA-N
XLogP4.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.10
LogP ≤ 54.67
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

(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide (CID 4671273) is 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide?
The InChIKey is KSTGLQAFUTWIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O2/c1-10(23-13-7-5-12(17)6-8-13)16(22)21-20-9-11-3-2-4-14(18)15(11)19/h2-10H,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide?
2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide has a molecular weight of 416.10 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 4671273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).