5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide

C13H17ClINO4 — CID 103877149

IUPAC5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
SMILESCOCC(O)CCNC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C13H17ClINO4/c1-19-7-8(17)3-4-16-13(18)9-5-10(14)11(15)6-12(9)20-2/h5-6,8,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyZCNVGTDNJCPGRJ-UHFFFAOYSA-N
MW413.64 g/mol
LogP2.08
Rot. Bonds7

About 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide

5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide (PubChem CID 103877149) has the molecular formula C13H17ClINO4 and a molecular weight of 413.64 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
PubChem CID103877149
Molecular FormulaC13H17ClINO4
Molecular Weight413.64 g/mol
Exact Mass412.99
IUPAC Name5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
SMILESCOCC(O)CCNC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C13H17ClINO4/c1-19-7-8(17)3-4-16-13(18)9-5-10(14)11(15)6-12(9)20-2/h5-6,8,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyZCNVGTDNJCPGRJ-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
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-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
CID 55947023
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide (CID 103877149) is 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide is COCC(O)CCNC(=O)c1cc(Cl)c(I)cc1OC.
What is the InChIKey of 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide?
The InChIKey is ZCNVGTDNJCPGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO4/c1-19-7-8(17)3-4-16-13(18)9-5-10(14)11(15)6-12(9)20-2/h5-6,8,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide?
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide has a molecular weight of 413.64 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 103877149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).