N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide

C19H24INO — CID 175991462

IUPACN-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1.I
InChIInChI=1S/C19H23NO.HI/c1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15;/h5-14H,1-4H3,(H,20,21);1H
InChIKeyQHMLIGWETWNPSU-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.80
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide

N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide (PubChem CID 175991462) has the molecular formula C19H24INO and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
PubChem CID175991462
Molecular FormulaC19H24INO
Molecular Weight409.31 g/mol
Exact Mass409.09
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1.I
InChIInChI=1S/C19H23NO.HI/c1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15;/h5-14H,1-4H3,(H,20,21);1H
InChIKeyQHMLIGWETWNPSU-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(2-propan-2-ylphenyl)benzamide
CID 723391
(2S)-2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 7018110
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
CID 113199333
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
CID 8777185
N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
CID 136845607

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide (CID 175991462) is N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1.I.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide?
The InChIKey is QHMLIGWETWNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.HI/c1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15;/h5-14H,1-4H3,(H,20,21);1H.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide?
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide has a molecular weight of 409.31 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 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]benzamide;hydroiodide is sourced from PubChem (CID 175991462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).