N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide

C21H19BrN2O3 — CID 5335057

IUPACN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
SMILESCOc1ccc(Br)c(/C=N/NC(=O)C(C)Oc2cccc3ccccc23)c1
InChIInChI=1S/C21H19BrN2O3/c1-14(27-20-9-5-7-15-6-3-4-8-18(15)20)21(25)24-23-13-16-12-17(26-2)10-11-19(16)22/h3-14H,1-2H3,(H,24,25)/b23-13+
InChIKeyUJLBFLPAYIDDTG-YDZHTSKRSA-N
MW427.30 g/mol
LogP4.53
Rot. Bonds6

About N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide

N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide (PubChem CID 5335057) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
PubChem CID5335057
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
SMILESCOc1ccc(Br)c(/C=N/NC(=O)C(C)Oc2cccc3ccccc23)c1
InChIInChI=1S/C21H19BrN2O3/c1-14(27-20-9-5-7-15-6-3-4-8-18(15)20)21(25)24-23-13-16-12-17(26-2)10-11-19(16)22/h3-14H,1-2H3,(H,24,25)/b23-13+
InChIKeyUJLBFLPAYIDDTG-YDZHTSKRSA-N
XLogP4.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.53
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

(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 171979500
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 4068820
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 6002261
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 3364097
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 3542949
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide (CID 5335057) is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide is COc1ccc(Br)c(/C=N/NC(=O)C(C)Oc2cccc3ccccc23)c1.
What is the InChIKey of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The InChIKey is UJLBFLPAYIDDTG-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-14(27-20-9-5-7-15-6-3-4-8-18(15)20)21(25)24-23-13-16-12-17(26-2)10-11-19(16)22/h3-14H,1-2H3,(H,24,25)/b23-13+.
What are the key properties of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide has a molecular weight of 427.30 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 5335057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).