2-iodo-6-methyl-N-propan-2-ylbenzamide

C11H14INO — CID 162534014

IUPAC2-iodo-6-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(I)c1C(=O)NC(C)C
InChIInChI=1S/C11H14INO/c1-7(2)13-11(14)10-8(3)5-4-6-9(10)12/h4-7H,1-3H3,(H,13,14)
InChIKeyDMQOQWBKJASEMJ-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.74
Rot. Bonds2

About 2-iodo-6-methyl-N-propan-2-ylbenzamide

2-iodo-6-methyl-N-propan-2-ylbenzamide (PubChem CID 162534014) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-iodo-6-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-iodo-6-methyl-N-propan-2-ylbenzamide
PubChem CID162534014
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-iodo-6-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(I)c1C(=O)NC(C)C
InChIInChI=1S/C11H14INO/c1-7(2)13-11(14)10-8(3)5-4-6-9(10)12/h4-7H,1-3H3,(H,13,14)
InChIKeyDMQOQWBKJASEMJ-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.74
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-iodo-6-methylbenzenecarbothioic S-acid
CID 91881633
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
CID 71968778
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2,6-dimethylbenzoyl iodide
CID 87941795
tert-butyl (2S)-2-[(2,6-dimethylbenzoyl)amino]propanoate
CID 103822375
(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate
CID 11209985
N-(1-chloropropan-2-yl)-2,6-dimethylbenzamide;ethane;triiodovanadium
CID 159563053
methyl 2-[(2-amino-6-methylbenzoyl)amino]-3-methylbutanoate
CID 43451998
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-iodo-6-methyl-N-propan-2-ylbenzamide (CID 162534014) is 2-iodo-6-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-iodo-6-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-iodo-6-methyl-N-propan-2-ylbenzamide is Cc1cccc(I)c1C(=O)NC(C)C.
What is the InChIKey of 2-iodo-6-methyl-N-propan-2-ylbenzamide?
The InChIKey is DMQOQWBKJASEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-7(2)13-11(14)10-8(3)5-4-6-9(10)12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-iodo-6-methyl-N-propan-2-ylbenzamide?
2-iodo-6-methyl-N-propan-2-ylbenzamide has a molecular weight of 303.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 162534014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).