2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide

C12H16INO3 — CID 97087681

IUPAC2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1ccc(OC)cc1I
InChIInChI=1S/C12H16INO3/c1-8(7-16-2)14-12(15)10-5-4-9(17-3)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyMOLRGSSMTKOGFJ-QMMMGPOBSA-N
MW349.17 g/mol
LogP2.06
Rot. Bonds5

About 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide

2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide (PubChem CID 97087681) has the molecular formula C12H16INO3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
PubChem CID97087681
Molecular FormulaC12H16INO3
Molecular Weight349.17 g/mol
Exact Mass349.02
IUPAC Name2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1ccc(OC)cc1I
InChIInChI=1S/C12H16INO3/c1-8(7-16-2)14-12(15)10-5-4-9(17-3)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyMOLRGSSMTKOGFJ-QMMMGPOBSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 52.06
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

N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
CID 119605873
N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 47931232
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
3-hydroxy-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 43403899
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
CID 119505130
2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 94812199

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The IUPAC name of 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide (CID 97087681) is 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide.
What is the SMILES notation for 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The canonical SMILES for 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide is COC[C@H](C)NC(=O)c1ccc(OC)cc1I.
What is the InChIKey of 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The InChIKey is MOLRGSSMTKOGFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16INO3/c1-8(7-16-2)14-12(15)10-5-4-9(17-3)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide has a molecular weight of 349.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide is sourced from PubChem (CID 97087681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).