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

C23H20Br2N2O3 — CID 3684614

IUPAC2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C23H20Br2N2O3/c1-16(30-21-11-9-19(24)10-12-21)23(28)27-26-14-18-6-2-3-8-22(18)29-15-17-5-4-7-20(25)13-17/h2-14,16H,15H2,1H3,(H,27,28)
InChIKeyCEHAIYCQCHAOBX-UHFFFAOYSA-N
MW532.23 g/mol
LogP5.71
Rot. Bonds8

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

2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide (PubChem CID 3684614) has the molecular formula C23H20Br2N2O3 and a molecular weight of 532.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
PubChem CID3684614
Molecular FormulaC23H20Br2N2O3
Molecular Weight532.23 g/mol
Exact Mass529.98
IUPAC Name2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C23H20Br2N2O3/c1-16(30-21-11-9-19(24)10-12-21)23(28)27-26-14-18-6-2-3-8-22(18)29-15-17-5-4-7-20(25)13-17/h2-14,16H,15H2,1H3,(H,27,28)
InChIKeyCEHAIYCQCHAOBX-UHFFFAOYSA-N
XLogP5.71
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 55.71
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

N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 3542949
(2S)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 6874274
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
(2S)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3-methylanilino)propanamide
CID 124834052
(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 51661266
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide
CID 5226918
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide (CID 3684614) is 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide?
The InChIKey is CEHAIYCQCHAOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2N2O3/c1-16(30-21-11-9-19(24)10-12-21)23(28)27-26-14-18-6-2-3-8-22(18)29-15-17-5-4-7-20(25)13-17/h2-14,16H,15H2,1H3,(H,27,28).
What are the key properties of 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide?
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide has a molecular weight of 532.23 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide is sourced from PubChem (CID 3684614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).