5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide

C14H19ClINO3 — CID 103771614

IUPAC5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C14H19ClINO3/c1-8(2)4-9(18)7-17-14(19)10-5-11(15)12(16)6-13(10)20-3/h5-6,8-9,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyPGRAIPRJTBTDBC-UHFFFAOYSA-N
MW411.67 g/mol
LogP3.09
Rot. Bonds6

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

5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide (PubChem CID 103771614) has the molecular formula C14H19ClINO3 and a molecular weight of 411.67 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
PubChem CID103771614
Molecular FormulaC14H19ClINO3
Molecular Weight411.67 g/mol
Exact Mass411.01
IUPAC Name5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C14H19ClINO3/c1-8(2)4-9(18)7-17-14(19)10-5-11(15)12(16)6-13(10)20-3/h5-6,8-9,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyPGRAIPRJTBTDBC-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.67
LogP ≤ 53.09
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-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975862
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
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-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
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
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide (CID 103771614) is 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)NCC(O)CC(C)C.
What is the InChIKey of 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide?
The InChIKey is PGRAIPRJTBTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClINO3/c1-8(2)4-9(18)7-17-14(19)10-5-11(15)12(16)6-13(10)20-3/h5-6,8-9,18H,4,7H2,1-3H3,(H,17,19).
What are the key properties of 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide?
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide has a molecular weight of 411.67 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 103771614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).