N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

C20H17BrN2O3 — CID 5430737

IUPACN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H17BrN2O3/c1-25-18-10-14(17(21)11-19(18)26-2)12-22-23-20(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,23,24)/b22-12-
InChIKeyYQSRYFNGKFYUNV-UUYOSTAYSA-N
MW413.27 g/mol
LogP4.38
Rot. Bonds5

About N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 5430737) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID5430737
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H17BrN2O3/c1-25-18-10-14(17(21)11-19(18)26-2)12-22-23-20(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,23,24)/b22-12-
InChIKeyYQSRYFNGKFYUNV-UUYOSTAYSA-N
XLogP4.38
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.38
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-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
2-[5-bromo-2-methoxy-4-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4274415
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189
[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 126085472
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
CID 3594626
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
N-[(Z)-(2,4-dichloro-6-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 6220811
(2S)-2-[2-methoxy-6-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 126240172
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3667071

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 5430737) is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is COc1cc(Br)c(/C=N\NC(=O)c2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is YQSRYFNGKFYUNV-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-25-18-10-14(17(21)11-19(18)26-2)12-22-23-20(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 413.27 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 5430737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).