N-(4-bromo-2-iodophenyl)-3-methylbutanamide

C11H13BrINO — CID 4008135

IUPACN-(4-bromo-2-iodophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C11H13BrINO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyGKCPVPDYQQBXJP-UHFFFAOYSA-N
MW382.04 g/mol
LogP4.04
Rot. Bonds3

About N-(4-bromo-2-iodophenyl)-3-methylbutanamide

N-(4-bromo-2-iodophenyl)-3-methylbutanamide (PubChem CID 4008135) has the molecular formula C11H13BrINO and a molecular weight of 382.04 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)-3-methylbutanamide
PubChem CID4008135
Molecular FormulaC11H13BrINO
Molecular Weight382.04 g/mol
Exact Mass380.92
IUPAC NameN-(4-bromo-2-iodophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C11H13BrINO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyGKCPVPDYQQBXJP-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.04
LogP ≤ 54.04
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-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
N-(4-bromo-2-iodophenyl)carbamate
CID 23023627
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)-3-methylbutanamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)-3-methylbutanamide (CID 4008135) is N-(4-bromo-2-iodophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Br)cc1I.
What is the InChIKey of N-(4-bromo-2-iodophenyl)-3-methylbutanamide?
The InChIKey is GKCPVPDYQQBXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrINO/c1-7(2)5-11(15)14-10-4-3-8(12)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-2-iodophenyl)-3-methylbutanamide?
N-(4-bromo-2-iodophenyl)-3-methylbutanamide has a molecular weight of 382.04 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)-3-methylbutanamide is sourced from PubChem (CID 4008135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).