N-(3-chloro-4-methoxybutyl)-2-iodobenzamide

C12H15ClINO2 — CID 106243499

IUPACN-(3-chloro-4-methoxybutyl)-2-iodobenzamide
SMILESCOCC(Cl)CCNC(=O)c1ccccc1I
InChIInChI=1S/C12H15ClINO2/c1-17-8-9(13)6-7-15-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyLURHRIOAQHQWAB-UHFFFAOYSA-N
MW367.61 g/mol
LogP2.66
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)-2-iodobenzamide

N-(3-chloro-4-methoxybutyl)-2-iodobenzamide (PubChem CID 106243499) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-2-iodobenzamide
PubChem CID106243499
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC NameN-(3-chloro-4-methoxybutyl)-2-iodobenzamide
SMILESCOCC(Cl)CCNC(=O)c1ccccc1I
InChIInChI=1S/C12H15ClINO2/c1-17-8-9(13)6-7-15-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyLURHRIOAQHQWAB-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-2-iodobenzamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-2-iodobenzamide (CID 106243499) is N-(3-chloro-4-methoxybutyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-2-iodobenzamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-2-iodobenzamide is COCC(Cl)CCNC(=O)c1ccccc1I.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-2-iodobenzamide?
The InChIKey is LURHRIOAQHQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO2/c1-17-8-9(13)6-7-15-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxybutyl)-2-iodobenzamide?
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide has a molecular weight of 367.61 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-2-iodobenzamide is sourced from PubChem (CID 106243499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).