2-iodo-N-(2-phenylpropan-2-yl)benzamide

C16H16INO — CID 47444713

IUPAC2-iodo-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C16H16INO/c1-16(2,12-8-4-3-5-9-12)18-15(19)13-10-6-7-11-14(13)17/h3-11H,1-2H3,(H,18,19)
InChIKeyGAWSQWZQPINZSS-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.96
Rot. Bonds3

About 2-iodo-N-(2-phenylpropan-2-yl)benzamide

2-iodo-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 47444713) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-iodo-N-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-phenylpropan-2-yl)benzamide
PubChem CID47444713
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name2-iodo-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C16H16INO/c1-16(2,12-8-4-3-5-9-12)18-15(19)13-10-6-7-11-14(13)17/h3-11H,1-2H3,(H,18,19)
InChIKeyGAWSQWZQPINZSS-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.96
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

2,3-dimethyl-N-(2-phenylpropan-2-yl)benzamide
CID 47444747
2-(4-methylphenyl)-N-(2-phenylpropan-2-yl)benzamide
CID 101062971
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide
CID 141307240
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
3-[(2-iodobenzoyl)amino]-3-methyl-4-methylsulfanylbutanoic acid
CID 141384504
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 47444796

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of 2-iodo-N-(2-phenylpropan-2-yl)benzamide (CID 47444713) is 2-iodo-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-(2-phenylpropan-2-yl)benzamide is CC(C)(NC(=O)c1ccccc1I)c1ccccc1.
What is the InChIKey of 2-iodo-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is GAWSQWZQPINZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-16(2,12-8-4-3-5-9-12)18-15(19)13-10-6-7-11-14(13)17/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-iodo-N-(2-phenylpropan-2-yl)benzamide?
2-iodo-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 365.21 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 47444713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).