N-(2-bromopropyl)-3-iodobenzamide

C10H11BrINO — CID 114308846

IUPACN-(2-bromopropyl)-3-iodobenzamide
SMILESCC(Br)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C10H11BrINO/c1-7(11)6-13-10(14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyFEGCIFHALDGPQS-UHFFFAOYSA-N
MW368.01 g/mol
LogP2.80
Rot. Bonds3

About N-(2-bromopropyl)-3-iodobenzamide

N-(2-bromopropyl)-3-iodobenzamide (PubChem CID 114308846) has the molecular formula C10H11BrINO and a molecular weight of 368.01 g/mol. Its IUPAC name is N-(2-bromopropyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-3-iodobenzamide
PubChem CID114308846
Molecular FormulaC10H11BrINO
Molecular Weight368.01 g/mol
Exact Mass366.91
IUPAC NameN-(2-bromopropyl)-3-iodobenzamide
SMILESCC(Br)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C10H11BrINO/c1-7(11)6-13-10(14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyFEGCIFHALDGPQS-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.01
LogP ≤ 52.80
H-Bond Donors ≤ 51
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-(2-bromo-4-methylpentyl)-3-iodobenzamide
CID 107157571
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
N-(4-chloro-2-methylbutyl)-3-iodobenzamide
CID 114306257
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3-iodobenzamide?
The IUPAC name of N-(2-bromopropyl)-3-iodobenzamide (CID 114308846) is N-(2-bromopropyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-bromopropyl)-3-iodobenzamide?
The canonical SMILES for N-(2-bromopropyl)-3-iodobenzamide is CC(Br)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-bromopropyl)-3-iodobenzamide?
The InChIKey is FEGCIFHALDGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINO/c1-7(11)6-13-10(14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of N-(2-bromopropyl)-3-iodobenzamide?
N-(2-bromopropyl)-3-iodobenzamide has a molecular weight of 368.01 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3-iodobenzamide is sourced from PubChem (CID 114308846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).