N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide

C15H21IN2O3 — CID 14691952

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(I)c1OC
InChIInChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyFKOZYIIIHDNKFQ-JTQLQIEISA-N
MW404.25 g/mol
LogP2.22
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide (PubChem CID 14691952) has the molecular formula C15H21IN2O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
PubChem CID14691952
Molecular FormulaC15H21IN2O3
Molecular Weight404.25 g/mol
Exact Mass404.06
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(I)c1OC
InChIInChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyFKOZYIIIHDNKFQ-JTQLQIEISA-N
XLogP2.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 52.22
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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-6-methoxybenzamide
CID 5120
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-iodo-6-methoxybenzamide
CID 10345188
3-bromo-6-hydroxy-2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]benzamide;hydrochloride
CID 21282684
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
CID 52942307
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-fluoro-2-hydroxy-6-methoxybenzamide
CID 13493798
5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide (CID 14691952) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(O)ccc(I)c1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide?
The InChIKey is FKOZYIIIHDNKFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide has a molecular weight of 404.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide is sourced from PubChem (CID 14691952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).