N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide

C11H13BrINO — CID 104556339

IUPACN-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C11H13BrINO/c1-8(7-12)14(2)11(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyPICFXRMNFKKEDE-UHFFFAOYSA-N
MW382.04 g/mol
LogP3.15
Rot. Bonds3

About N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide

N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide (PubChem CID 104556339) has the molecular formula C11H13BrINO and a molecular weight of 382.04 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
PubChem CID104556339
Molecular FormulaC11H13BrINO
Molecular Weight382.04 g/mol
Exact Mass380.92
IUPAC NameN-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C11H13BrINO/c1-8(7-12)14(2)11(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyPICFXRMNFKKEDE-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.04
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104556200
N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
CID 113426450
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
4-(bromomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 102851012
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide (CID 104556339) is N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide is CC(CBr)N(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide?
The InChIKey is PICFXRMNFKKEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrINO/c1-8(7-12)14(2)11(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide?
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide has a molecular weight of 382.04 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 104556339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).