3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide

C16H16INO3 — CID 2222138

IUPAC3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCNC(=O)c1cc(I)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H16INO3/c1-18-16(19)12-8-13(17)15(14(9-12)20-2)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyTUAGJNTYOHMBLD-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.24
Rot. Bonds5

About 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide

3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide (PubChem CID 2222138) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
PubChem CID2222138
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC Name3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCNC(=O)c1cc(I)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H16INO3/c1-18-16(19)12-8-13(17)15(14(9-12)20-2)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyTUAGJNTYOHMBLD-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.24
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

methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxybenzoic acid
CID 91683343
3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 53401732
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126368928
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683229
(E)-2-benzamido-3-[3-iodo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 6210109
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide (CID 2222138) is 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide is CNC(=O)c1cc(I)c(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is TUAGJNTYOHMBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c1-18-16(19)12-8-13(17)15(14(9-12)20-2)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide?
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 397.21 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 2222138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).