4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide

C19H15BrN2O — CID 4299606

IUPAC4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15BrN2O/c1-13(16-7-6-14-4-2-3-5-17(14)12-16)21-22-19(23)15-8-10-18(20)11-9-15/h2-12H,1H3,(H,22,23)
InChIKeyDWFITJWVFWOZST-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.76
Rot. Bonds3

About 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide

4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide (PubChem CID 4299606) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
PubChem CID4299606
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15BrN2O/c1-13(16-7-6-14-4-2-3-5-17(14)12-16)21-22-19(23)15-8-10-18(20)11-9-15/h2-12H,1H3,(H,22,23)
InChIKeyDWFITJWVFWOZST-UHFFFAOYSA-N
XLogP4.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1184948
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide
CID 1273648

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide?
The IUPAC name of 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide (CID 4299606) is 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide.
What is the SMILES notation for 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide?
The canonical SMILES for 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide is CC(=NNC(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide?
The InChIKey is DWFITJWVFWOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-13(16-7-6-14-4-2-3-5-17(14)12-16)21-22-19(23)15-8-10-18(20)11-9-15/h2-12H,1H3,(H,22,23).
What are the key properties of 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide?
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide has a molecular weight of 367.25 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide is sourced from PubChem (CID 4299606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).