N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide

C14H18INO2 — CID 10991985

IUPACN-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide
SMILESCC1(C)CO[C@H](CI)[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C14H18INO2/c1-14(2)9-18-11(8-15)12(14)16-13(17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyOJBDONBELAOVKS-NEPJUHHUSA-N
MW359.21 g/mol
LogP2.64
Rot. Bonds3

About N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide

N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide (PubChem CID 10991985) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide
PubChem CID10991985
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC NameN-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide
SMILESCC1(C)CO[C@H](CI)[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C14H18INO2/c1-14(2)9-18-11(8-15)12(14)16-13(17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyOJBDONBELAOVKS-NEPJUHHUSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
CID 14954535
N-[(2R,5S)-2-[[(2S,5R)-5-benzamido-1,3-dioxepan-2-yl]methyl]-1,3-dioxepan-5-yl]benzamide
CID 10837431
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide
CID 50957827
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
N-(3-bromocyclopentyl)benzamide
CID 175209749
N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-(2-ethylcyclopropyl)benzamide
CID 103669419
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide?
The IUPAC name of N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide (CID 10991985) is N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide.
What is the SMILES notation for N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide?
The canonical SMILES for N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide is CC1(C)CO[C@H](CI)[C@@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide?
The InChIKey is OJBDONBELAOVKS-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18INO2/c1-14(2)9-18-11(8-15)12(14)16-13(17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide?
N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide has a molecular weight of 359.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide is sourced from PubChem (CID 10991985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).