N-phenylnaphthalene-1-carboximidoyl chloride

C17H12ClN — CID 118049564

IUPACN-phenylnaphthalene-1-carboximidoyl chloride
SMILESCl/C(=N\c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H12ClN/c18-17(19-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H/b19-17-
InChIKeyVUMDSYVRKZSOSY-ZPHPHTNESA-N
MW265.74 g/mol
LogP5.16
Rot. Bonds2

About N-phenylnaphthalene-1-carboximidoyl chloride

N-phenylnaphthalene-1-carboximidoyl chloride (PubChem CID 118049564) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is N-phenylnaphthalene-1-carboximidoyl chloride.

Molecular Properties

Compound NameN-phenylnaphthalene-1-carboximidoyl chloride
PubChem CID118049564
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC NameN-phenylnaphthalene-1-carboximidoyl chloride
SMILESCl/C(=N\c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H12ClN/c18-17(19-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H/b19-17-
InChIKeyVUMDSYVRKZSOSY-ZPHPHTNESA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.74
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride
CID 22596626
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
CID 102208465
CID 102208465
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
2-hydroxyimino-1-naphthalen-1-ylethanone
CID 72672439
N-methyl-2-naphthalen-1-ylprop-2-en-1-imine
CID 139239744
N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
CID 3345579
(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide
CID 14612181
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858

Frequently Asked Questions

What is the IUPAC name of N-phenylnaphthalene-1-carboximidoyl chloride?
The IUPAC name of N-phenylnaphthalene-1-carboximidoyl chloride (CID 118049564) is N-phenylnaphthalene-1-carboximidoyl chloride.
What is the SMILES notation for N-phenylnaphthalene-1-carboximidoyl chloride?
The canonical SMILES for N-phenylnaphthalene-1-carboximidoyl chloride is Cl/C(=N\c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-phenylnaphthalene-1-carboximidoyl chloride?
The InChIKey is VUMDSYVRKZSOSY-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H12ClN/c18-17(19-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H/b19-17-.
What are the key properties of N-phenylnaphthalene-1-carboximidoyl chloride?
N-phenylnaphthalene-1-carboximidoyl chloride has a molecular weight of 265.74 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylnaphthalene-1-carboximidoyl chloride is sourced from PubChem (CID 118049564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).