4-iodo-N-(3-methylbutyl)benzamide

C12H16INO — CID 2232834

IUPAC4-iodo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H16INO/c1-9(2)7-8-14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyNJDKWQRXAFQIAV-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.07
Rot. Bonds4

About 4-iodo-N-(3-methylbutyl)benzamide

4-iodo-N-(3-methylbutyl)benzamide (PubChem CID 2232834) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 4-iodo-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(3-methylbutyl)benzamide
PubChem CID2232834
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name4-iodo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H16INO/c1-9(2)7-8-14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyNJDKWQRXAFQIAV-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.07
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

4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
CID 47224746
2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid
CID 110495219
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110691119
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
N-(3,14-diaminotetradecyl)-4-iodobenzamide
CID 69435446
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312
4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
CID 47101423
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-iodo-N-(3-methylbutyl)benzamide (CID 2232834) is 4-iodo-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-iodo-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-iodo-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(3-methylbutyl)benzamide?
The InChIKey is NJDKWQRXAFQIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-9(2)7-8-14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-iodo-N-(3-methylbutyl)benzamide?
4-iodo-N-(3-methylbutyl)benzamide has a molecular weight of 317.17 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 2232834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).