5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide

C10H11ClINO3 — CID 43419592

IUPAC5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCCO
InChIInChI=1S/C10H11ClINO3/c1-16-9-5-8(12)7(11)4-6(9)10(15)13-2-3-14/h4-5,14H,2-3H2,1H3,(H,13,15)
InChIKeyWAZWJUWHWJXRQH-UHFFFAOYSA-N
MW355.56 g/mol
LogP1.68
Rot. Bonds4

About 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide

5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide (PubChem CID 43419592) has the molecular formula C10H11ClINO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
PubChem CID43419592
Molecular FormulaC10H11ClINO3
Molecular Weight355.56 g/mol
Exact Mass354.95
IUPAC Name5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCCO
InChIInChI=1S/C10H11ClINO3/c1-16-9-5-8(12)7(11)4-6(9)10(15)13-2-3-14/h4-5,14H,2-3H2,1H3,(H,13,15)
InChIKeyWAZWJUWHWJXRQH-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
CID 55947023
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide
CID 97063254
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
CID 96665044
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
CID 62522447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide (CID 43419592) is 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)NCCO.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide?
The InChIKey is WAZWJUWHWJXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO3/c1-16-9-5-8(12)7(11)4-6(9)10(15)13-2-3-14/h4-5,14H,2-3H2,1H3,(H,13,15).
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide?
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide has a molecular weight of 355.56 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 43419592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).