N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide

C18H13BrN2O2 — CID 135426068

IUPACN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2O2/c19-16-10-12(8-9-17(16)22)11-20-21-18(23)15-7-3-5-13-4-1-2-6-14(13)15/h1-11,22H,(H,21,23)/b20-11+
InChIKeySYBDYYDIJHHBRE-RGVLZGJSSA-N
MW369.22 g/mol
LogP4.07
Rot. Bonds3

About N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 135426068) has the molecular formula C18H13BrN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID135426068
Molecular FormulaC18H13BrN2O2
Molecular Weight369.22 g/mol
Exact Mass368.02
IUPAC NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2O2/c19-16-10-12(8-9-17(16)22)11-20-21-18(23)15-7-3-5-13-4-1-2-6-14(13)15/h1-11,22H,(H,21,23)/b20-11+
InChIKeySYBDYYDIJHHBRE-RGVLZGJSSA-N
XLogP4.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
2-bromo-N-[4-[[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 135419971
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 136820257
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 135426068) is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide is O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is SYBDYYDIJHHBRE-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H13BrN2O2/c19-16-10-12(8-9-17(16)22)11-20-21-18(23)15-7-3-5-13-4-1-2-6-14(13)15/h1-11,22H,(H,21,23)/b20-11+.
What are the key properties of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 135426068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).