N-phenylnaphthalene-2-carbohydrazonoyl chloride

C17H13ClN2 — CID 167437589

IUPACN-phenylnaphthalene-2-carbohydrazonoyl chloride
SMILESClC(=NNc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H13ClN2/c18-17(20-19-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12,19H
InChIKeyQSMLHXVXDXGVDU-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.85
Rot. Bonds3

About N-phenylnaphthalene-2-carbohydrazonoyl chloride

N-phenylnaphthalene-2-carbohydrazonoyl chloride (PubChem CID 167437589) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is N-phenylnaphthalene-2-carbohydrazonoyl chloride.

Molecular Properties

Compound NameN-phenylnaphthalene-2-carbohydrazonoyl chloride
PubChem CID167437589
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC NameN-phenylnaphthalene-2-carbohydrazonoyl chloride
SMILESClC(=NNc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H13ClN2/c18-17(20-19-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12,19H
InChIKeyQSMLHXVXDXGVDU-UHFFFAOYSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', '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

(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801
(2Z)-N-hydroxynaphthalene-2-carboximidoyl chloride
CID 12014223
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 154203611
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
CID 12730139
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
CID 177387067
(1Z)-N-(4-methylphenyl)-2-naphthalen-2-yl-2-oxoethanehydrazonoyl bromide
CID 10915553
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138

Frequently Asked Questions

What is the IUPAC name of N-phenylnaphthalene-2-carbohydrazonoyl chloride?
The IUPAC name of N-phenylnaphthalene-2-carbohydrazonoyl chloride (CID 167437589) is N-phenylnaphthalene-2-carbohydrazonoyl chloride.
What is the SMILES notation for N-phenylnaphthalene-2-carbohydrazonoyl chloride?
The canonical SMILES for N-phenylnaphthalene-2-carbohydrazonoyl chloride is ClC(=NNc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-phenylnaphthalene-2-carbohydrazonoyl chloride?
The InChIKey is QSMLHXVXDXGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-17(20-19-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12,19H.
What are the key properties of N-phenylnaphthalene-2-carbohydrazonoyl chloride?
N-phenylnaphthalene-2-carbohydrazonoyl chloride has a molecular weight of 280.76 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylnaphthalene-2-carbohydrazonoyl chloride is sourced from PubChem (CID 167437589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).