N-(3-chlorobutyl)-2-iodobenzamide

C11H13ClINO — CID 114301785

IUPACN-(3-chlorobutyl)-2-iodobenzamide
SMILESCC(Cl)CCNC(=O)c1ccccc1I
InChIInChI=1S/C11H13ClINO/c1-8(12)6-7-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyDDJGQBQXYDEBRN-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.04
Rot. Bonds4

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

N-(3-chlorobutyl)-2-iodobenzamide (PubChem CID 114301785) has the molecular formula C11H13ClINO and a molecular weight of 337.59 g/mol. Its IUPAC name is N-(3-chlorobutyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-2-iodobenzamide
PubChem CID114301785
Molecular FormulaC11H13ClINO
Molecular Weight337.59 g/mol
Exact Mass336.97
IUPAC NameN-(3-chlorobutyl)-2-iodobenzamide
SMILESCC(Cl)CCNC(=O)c1ccccc1I
InChIInChI=1S/C11H13ClINO/c1-8(12)6-7-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyDDJGQBQXYDEBRN-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.04
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-(4-chloropentyl)-2-iodobenzamide
CID 106129201
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-2-iodobenzamide?
The IUPAC name of N-(3-chlorobutyl)-2-iodobenzamide (CID 114301785) is N-(3-chlorobutyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-chlorobutyl)-2-iodobenzamide?
The canonical SMILES for N-(3-chlorobutyl)-2-iodobenzamide is CC(Cl)CCNC(=O)c1ccccc1I.
What is the InChIKey of N-(3-chlorobutyl)-2-iodobenzamide?
The InChIKey is DDJGQBQXYDEBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO/c1-8(12)6-7-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(3-chlorobutyl)-2-iodobenzamide?
N-(3-chlorobutyl)-2-iodobenzamide has a molecular weight of 337.59 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-2-iodobenzamide is sourced from PubChem (CID 114301785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).