N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide

C21H23IN2O3 — CID 68884823

IUPACN-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(I)cc1C(=O)N[C@H](O)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23IN2O3/c1-12(2)27-19-9-8-14(22)10-16(19)21(26)24-20(25)13(3)17-11-23-18-7-5-4-6-15(17)18/h4-13,20,23,25H,1-3H3,(H,24,26)/t13?,20-/m1/s1
InChIKeyONTYDMUONPSPSD-LCNBYPMKSA-N
MW478.33 g/mol
LogP4.41
Rot. Bonds6

About N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide

N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide (PubChem CID 68884823) has the molecular formula C21H23IN2O3 and a molecular weight of 478.33 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide
PubChem CID68884823
Molecular FormulaC21H23IN2O3
Molecular Weight478.33 g/mol
Exact Mass478.08
IUPAC NameN-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(I)cc1C(=O)N[C@H](O)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23IN2O3/c1-12(2)27-19-9-8-14(22)10-16(19)21(26)24-20(25)13(3)17-11-23-18-7-5-4-6-15(17)18/h4-13,20,23,25H,1-3H3,(H,24,26)/t13?,20-/m1/s1
InChIKeyONTYDMUONPSPSD-LCNBYPMKSA-N
XLogP4.41
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.33
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propoxybenzamide
CID 69332033
5-[3-[[(2R,3R)-3-hydroxybutan-2-yl]-methylamino]prop-1-ynyl]-N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-2-propan-2-yloxybenzamide
CID 57454806
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(hydroxymethyl)-2-propan-2-yloxybenzamide
CID 71036031
N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 68883293
5-(3,5-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxybenzamide
CID 71065400
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide
CID 68887959
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(5-hydroxypent-1-ynyl)-2-propan-2-yloxybenzamide
CID 25205465
5-[2-(4-cyanophenyl)ethynyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxybenzamide
CID 59804463
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)benzamide
CID 74388973
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[2-(3-hydroxyphenyl)ethynyl]-2-propan-2-yloxybenzamide
CID 59804448

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide (CID 68884823) is N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(I)cc1C(=O)N[C@H](O)C(C)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide?
The InChIKey is ONTYDMUONPSPSD-LCNBYPMKSA-N. The full InChI is InChI=1S/C21H23IN2O3/c1-12(2)27-19-9-8-14(22)10-16(19)21(26)24-20(25)13(3)17-11-23-18-7-5-4-6-15(17)18/h4-13,20,23,25H,1-3H3,(H,24,26)/t13?,20-/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide?
N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide has a molecular weight of 478.33 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide is sourced from PubChem (CID 68884823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).