3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C16H16INO2 — CID 2236745

IUPAC3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO2/c1-11(12-6-8-15(20-2)9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyYVNSUDKEYDPVKS-NSHDSACASA-N
MW381.21 g/mol
LogP3.79
Rot. Bonds4

About 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 2236745) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID2236745
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO2/c1-11(12-6-8-15(20-2)9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyYVNSUDKEYDPVKS-NSHDSACASA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-iodobenzamide
CID 56728750
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 2236745) is 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is YVNSUDKEYDPVKS-NSHDSACASA-N. The full InChI is InChI=1S/C16H16INO2/c1-11(12-6-8-15(20-2)9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 381.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2236745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).