3-iodo-N-[(1R)-1-phenylethyl]benzamide

C15H14INO — CID 1101324

IUPAC3-iodo-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C15H14INO/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,1H3,(H,17,18)/t11-/m1/s1
InChIKeyPWTJXCSQEWPNLD-LLVKDONJSA-N
MW351.19 g/mol
LogP3.78
Rot. Bonds3

About 3-iodo-N-[(1R)-1-phenylethyl]benzamide

3-iodo-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 1101324) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is 3-iodo-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(1R)-1-phenylethyl]benzamide
PubChem CID1101324
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name3-iodo-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C15H14INO/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,1H3,(H,17,18)/t11-/m1/s1
InChIKeyPWTJXCSQEWPNLD-LLVKDONJSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-iodo-N-[(1R)-1-phenylethyl]benzamide (CID 1101324) is 3-iodo-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-iodo-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1.
What is the InChIKey of 3-iodo-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is PWTJXCSQEWPNLD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14INO/c1-11(12-6-3-2-4-7-12)17-15(18)13-8-5-9-14(16)10-13/h2-11H,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-iodo-N-[(1R)-1-phenylethyl]benzamide?
3-iodo-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 351.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 1101324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).