N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C20H17BrN2O4 — CID 5191416

IUPACN-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(Br)cc1O
InChIInChI=1S/C20H17BrN2O4/c1-2-27-19-9-14(16(21)10-18(19)25)11-22-23-20(26)15-7-12-5-3-4-6-13(12)8-17(15)24/h3-11,24-25H,2H2,1H3,(H,23,26)
InChIKeyMQZZQCCVLKHLCU-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.18
Rot. Bonds5

About N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 5191416) has the molecular formula C20H17BrN2O4 and a molecular weight of 429.27 g/mol. Its IUPAC name is N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID5191416
Molecular FormulaC20H17BrN2O4
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC NameN-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(Br)cc1O
InChIInChI=1S/C20H17BrN2O4/c1-2-27-19-9-14(16(21)10-18(19)25)11-22-23-20(26)15-7-12-5-3-4-6-13(12)8-17(15)24/h3-11,24-25H,2H2,1H3,(H,23,26)
InChIKeyMQZZQCCVLKHLCU-UHFFFAOYSA-N
XLogP4.18
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-bromo-2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3950319
N-[[4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4651004
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4661039
N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5437236
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3915998
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3667071
N-[(E)-(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 137131342
N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135533021
2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4517422

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 5191416) is N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)c(Br)cc1O.
What is the InChIKey of N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is MQZZQCCVLKHLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4/c1-2-27-19-9-14(16(21)10-18(19)25)11-22-23-20(26)15-7-12-5-3-4-6-13(12)8-17(15)24/h3-11,24-25H,2H2,1H3,(H,23,26).
What are the key properties of N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 5191416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).