N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

C20H17BrN2O2 — CID 4061688

IUPACN-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O2/c1-14(20(24)23-22-13-15-5-4-8-18(21)11-15)25-19-10-9-16-6-2-3-7-17(16)12-19/h2-14H,1H3,(H,23,24)
InChIKeyAABXSSYDVFTDSK-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 4061688) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID4061688
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O2/c1-14(20(24)23-22-13-15-5-4-8-18(21)11-15)25-19-10-9-16-6-2-3-7-17(16)12-19/h2-14H,1H3,(H,23,24)
InChIKeyAABXSSYDVFTDSK-UHFFFAOYSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.52
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
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
(2S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 7039261
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 4061688) is N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is CC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is AABXSSYDVFTDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-14(20(24)23-22-13-15-5-4-8-18(21)11-15)25-19-10-9-16-6-2-3-7-17(16)12-19/h2-14H,1H3,(H,23,24).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 397.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 4061688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).