5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide

C16H21ClINO3 — CID 97063254

IUPAC5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C16H21ClINO3/c1-22-15-9-13(18)12(17)8-11(15)16(21)19-7-3-5-10-4-2-6-14(10)20/h8-10,14,20H,2-7H2,1H3,(H,19,21)/t10-,14+/m0/s1
InChIKeyPPHHIPAERXJIBA-IINYFYTJSA-N
MW437.71 g/mol
LogP3.62
Rot. Bonds6

About 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide

5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide (PubChem CID 97063254) has the molecular formula C16H21ClINO3 and a molecular weight of 437.71 g/mol. Its IUPAC name is 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide
PubChem CID97063254
Molecular FormulaC16H21ClINO3
Molecular Weight437.71 g/mol
Exact Mass437.03
IUPAC Name5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C16H21ClINO3/c1-22-15-9-13(18)12(17)8-11(15)16(21)19-7-3-5-10-4-2-6-14(10)20/h8-10,14,20H,2-7H2,1H3,(H,19,21)/t10-,14+/m0/s1
InChIKeyPPHHIPAERXJIBA-IINYFYTJSA-N
XLogP3.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.71
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
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
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957032
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
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
CID 119615563
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide (CID 97063254) is 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@H]1O.
What is the InChIKey of 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide?
The InChIKey is PPHHIPAERXJIBA-IINYFYTJSA-N. The full InChI is InChI=1S/C16H21ClINO3/c1-22-15-9-13(18)12(17)8-11(15)16(21)19-7-3-5-10-4-2-6-14(10)20/h8-10,14,20H,2-7H2,1H3,(H,19,21)/t10-,14+/m0/s1.
What are the key properties of 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide?
5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide has a molecular weight of 437.71 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 97063254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).