N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride

C19H22ClN — CID 22596623

IUPACN-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cl)c1ccccc1
InChIInChI=1S/C19H22ClN/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(20)15-9-6-5-7-10-15/h5-14H,1-4H3/b21-19-
InChIKeyFQRZDSKPENEPJC-VZCXRCSSSA-N
MW299.84 g/mol
LogP6.25
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride

N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride (PubChem CID 22596623) has the molecular formula C19H22ClN and a molecular weight of 299.84 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
PubChem CID22596623
Molecular FormulaC19H22ClN
Molecular Weight299.84 g/mol
Exact Mass299.14
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cl)c1ccccc1
InChIInChI=1S/C19H22ClN/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(20)15-9-6-5-7-10-15/h5-14H,1-4H3/b21-19-
InChIKeyFQRZDSKPENEPJC-VZCXRCSSSA-N
XLogP6.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.84
LogP ≤ 56.25
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
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
CID 136845607
3-[2,6-di(propan-2-yl)phenyl]imino-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1-phenylbutan-1-one
CID 139257943
(benzhydrylideneamino) N'-[2,6-di(propan-2-yl)phenyl]carbamimidate
CID 87424175
1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 58238566
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
1-N-(2,6-dibromophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]-1-phenylpropane-1,2-diimine
CID 90084912
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 130350375

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride (CID 22596623) is N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride is CC(C)c1cccc(C(C)C)c1/N=C(\Cl)c1ccccc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride?
The InChIKey is FQRZDSKPENEPJC-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-19(20)15-9-6-5-7-10-15/h5-14H,1-4H3/b21-19-.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride?
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride has a molecular weight of 299.84 g/mol, XLogP of 6.25, 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]benzenecarboximidoyl chloride is sourced from PubChem (CID 22596623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).