N-(4-chloropentyl)-2-iodobenzamide

C12H15ClINO — CID 106129201

IUPACN-(4-chloropentyl)-2-iodobenzamide
SMILESCC(Cl)CCCNC(=O)c1ccccc1I
InChIInChI=1S/C12H15ClINO/c1-9(13)5-4-8-15-12(16)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)
InChIKeyKIXVSNDRBGICMB-UHFFFAOYSA-N
MW351.62 g/mol
LogP3.43
Rot. Bonds5

About N-(4-chloropentyl)-2-iodobenzamide

N-(4-chloropentyl)-2-iodobenzamide (PubChem CID 106129201) has the molecular formula C12H15ClINO and a molecular weight of 351.62 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-iodobenzamide
PubChem CID106129201
Molecular FormulaC12H15ClINO
Molecular Weight351.62 g/mol
Exact Mass350.99
IUPAC NameN-(4-chloropentyl)-2-iodobenzamide
SMILESCC(Cl)CCCNC(=O)c1ccccc1I
InChIInChI=1S/C12H15ClINO/c1-9(13)5-4-8-15-12(16)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)
InChIKeyKIXVSNDRBGICMB-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-iodobenzamide?
The IUPAC name of N-(4-chloropentyl)-2-iodobenzamide (CID 106129201) is N-(4-chloropentyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-chloropentyl)-2-iodobenzamide?
The canonical SMILES for N-(4-chloropentyl)-2-iodobenzamide is CC(Cl)CCCNC(=O)c1ccccc1I.
What is the InChIKey of N-(4-chloropentyl)-2-iodobenzamide?
The InChIKey is KIXVSNDRBGICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO/c1-9(13)5-4-8-15-12(16)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16).
What are the key properties of N-(4-chloropentyl)-2-iodobenzamide?
N-(4-chloropentyl)-2-iodobenzamide has a molecular weight of 351.62 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-iodobenzamide is sourced from PubChem (CID 106129201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).