5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide

C15H19ClINO3 — CID 115759730

IUPAC5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H19ClINO3/c1-18(9-15(20)5-3-4-6-15)14(19)10-7-11(16)12(17)8-13(10)21-2/h7-8,20H,3-6,9H2,1-2H3
InChIKeyYDKFZCYZQRHGCB-UHFFFAOYSA-N
MW423.68 g/mol
LogP3.33
Rot. Bonds4

About 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide

5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide (PubChem CID 115759730) has the molecular formula C15H19ClINO3 and a molecular weight of 423.68 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide
PubChem CID115759730
Molecular FormulaC15H19ClINO3
Molecular Weight423.68 g/mol
Exact Mass423.01
IUPAC Name5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H19ClINO3/c1-18(9-15(20)5-3-4-6-15)14(19)10-7-11(16)12(17)8-13(10)21-2/h7-8,20H,3-6,9H2,1-2H3
InChIKeyYDKFZCYZQRHGCB-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.68
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
CID 107202751
4-[(5-chloro-4-iodo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 43360141
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 115760287
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide (CID 115759730) is 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide is COc1cc(I)c(Cl)cc1C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide?
The InChIKey is YDKFZCYZQRHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClINO3/c1-18(9-15(20)5-3-4-6-15)14(19)10-7-11(16)12(17)8-13(10)21-2/h7-8,20H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide?
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide has a molecular weight of 423.68 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 115759730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).