N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide

C19H22INO3 — CID 27136904

IUPACN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cccc(I)c2)cc1OCC
InChIInChI=1S/C19H22INO3/c1-4-23-17-10-9-14(12-18(17)24-5-2)13(3)21-19(22)15-7-6-8-16(20)11-15/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyHHIOJJVBPKGONT-CYBMUJFWSA-N
MW439.29 g/mol
LogP4.58
Rot. Bonds7

About N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide (PubChem CID 27136904) has the molecular formula C19H22INO3 and a molecular weight of 439.29 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
PubChem CID27136904
Molecular FormulaC19H22INO3
Molecular Weight439.29 g/mol
Exact Mass439.06
IUPAC NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cccc(I)c2)cc1OCC
InChIInChI=1S/C19H22INO3/c1-4-23-17-10-9-14(12-18(17)24-5-2)13(3)21-19(22)15-7-6-8-16(20)11-15/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyHHIOJJVBPKGONT-CYBMUJFWSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 54.58
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-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide?
The IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide (CID 27136904) is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide is CCOc1ccc([C@@H](C)NC(=O)c2cccc(I)c2)cc1OCC.
What is the InChIKey of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide?
The InChIKey is HHIOJJVBPKGONT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22INO3/c1-4-23-17-10-9-14(12-18(17)24-5-2)13(3)21-19(22)15-7-6-8-16(20)11-15/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide?
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide has a molecular weight of 439.29 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide is sourced from PubChem (CID 27136904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).