N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride

C23H24ClN — CID 22596626

IUPACN-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cl)c1cccc2ccccc12
InChIInChI=1S/C23H24ClN/c1-15(2)18-12-8-13-19(16(3)4)22(18)25-23(24)21-14-7-10-17-9-5-6-11-20(17)21/h5-16H,1-4H3/b25-23-
InChIKeyQPFRJRMXYOVFQZ-BZZOAKBMSA-N
MW349.91 g/mol
LogP7.40
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride

N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride (PubChem CID 22596626) has the molecular formula C23H24ClN and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride
PubChem CID22596626
Molecular FormulaC23H24ClN
Molecular Weight349.91 g/mol
Exact Mass349.16
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cl)c1cccc2ccccc12
InChIInChI=1S/C23H24ClN/c1-15(2)18-12-8-13-19(16(3)4)22(18)25-23(24)21-14-7-10-17-9-5-6-11-20(17)21/h5-16H,1-4H3/b25-23-
InChIKeyQPFRJRMXYOVFQZ-BZZOAKBMSA-N
XLogP7.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.91
LogP ≤ 57.40
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]benzenecarboximidoyl chloride
CID 22596623
N-phenylnaphthalene-1-carboximidoyl chloride
CID 118049564
butane;1-propan-2-ylnaphthalene
CID 157253186
1-propan-2-ylphenanthrene
CID 12628671
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
O-(2-propan-2-ylphenyl) naphthalene-1-carbothioate
CID 141336494
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 21133068
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride (CID 22596626) is N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride is CC(C)c1cccc(C(C)C)c1/N=C(\Cl)c1cccc2ccccc12.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride?
The InChIKey is QPFRJRMXYOVFQZ-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H24ClN/c1-15(2)18-12-8-13-19(16(3)4)22(18)25-23(24)21-14-7-10-17-9-5-6-11-20(17)21/h5-16H,1-4H3/b25-23-.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride?
N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride has a molecular weight of 349.91 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride is sourced from PubChem (CID 22596626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).