(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide

C19H15BrN2O — CID 10915553

IUPAC(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide
SMILESCc1ccc(N/N=C(\Br)C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H15BrN2O/c1-13-6-10-17(11-7-13)21-22-19(20)18(23)16-9-8-14-4-2-3-5-15(14)12-16/h2-12,21H,1H3/b22-19-
InChIKeyPYAKIJYMVIZINS-QOCHGBHMSA-N
MW367.25 g/mol
LogP5.15
Rot. Bonds4

About (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide

(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide (PubChem CID 10915553) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide.

Molecular Properties

Compound Name(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide
PubChem CID10915553
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide
SMILESCc1ccc(N/N=C(\Br)C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H15BrN2O/c1-13-6-10-17(11-7-13)21-22-19(20)18(23)16-9-8-14-4-2-3-5-15(14)12-16/h2-12,21H,1H3/b22-19-
InChIKeyPYAKIJYMVIZINS-QOCHGBHMSA-N
XLogP5.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589
1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 789157
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
CID 56956568
N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide
CID 58811298
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide?
The IUPAC name of (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide (CID 10915553) is (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide.
What is the SMILES notation for (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide?
The canonical SMILES for (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide is Cc1ccc(N/N=C(\Br)C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide?
The InChIKey is PYAKIJYMVIZINS-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-13-6-10-17(11-7-13)21-22-19(20)18(23)16-9-8-14-4-2-3-5-15(14)12-16/h2-12,21H,1H3/b22-19-.
What are the key properties of (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide?
(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide has a molecular weight of 367.25 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide is sourced from PubChem (CID 10915553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).