(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide

C16H14Br2N2O2 — CID 1039690

IUPAC(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C16H14Br2N2O2/c1-11(22-15-7-5-13(17)6-8-15)16(21)20-19-10-12-3-2-4-14(18)9-12/h2-11H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyNQLAPRKUBPUITI-NSHDSACASA-N
MW426.11 g/mol
LogP4.13
Rot. Bonds5

About (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide

(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide (PubChem CID 1039690) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
PubChem CID1039690
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC Name(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C16H14Br2N2O2/c1-11(22-15-7-5-13(17)6-8-15)16(21)20-19-10-12-3-2-4-14(18)9-12/h2-11H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyNQLAPRKUBPUITI-NSHDSACASA-N
XLogP4.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.13
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-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
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
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 3678892
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide (CID 1039690) is (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide?
The InChIKey is NQLAPRKUBPUITI-NSHDSACASA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c1-11(22-15-7-5-13(17)6-8-15)16(21)20-19-10-12-3-2-4-14(18)9-12/h2-11H,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide?
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide has a molecular weight of 426.11 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide is sourced from PubChem (CID 1039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).