3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide

C17H18INO2 — CID 70876869

IUPAC3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide
SMILESCOCc1ccc(C(=O)N(C)C)cc1-c1ccc(I)cc1
InChIInChI=1S/C17H18INO2/c1-19(2)17(20)13-4-5-14(11-21-3)16(10-13)12-6-8-15(18)9-7-12/h4-10H,11H2,1-3H3
InChIKeyFQDTWCOADBAWKA-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.81
Rot. Bonds4

About 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide

3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide (PubChem CID 70876869) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide
PubChem CID70876869
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide
SMILESCOCc1ccc(C(=O)N(C)C)cc1-c1ccc(I)cc1
InChIInChI=1S/C17H18INO2/c1-19(2)17(20)13-4-5-14(11-21-3)16(10-13)12-6-8-15(18)9-7-12/h4-10H,11H2,1-3H3
InChIKeyFQDTWCOADBAWKA-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N,N-dimethyl-4-(4-methylsulfonylphenyl)benzamide
CID 59165579
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
CID 70876710
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide
CID 70876708
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
CID 135152216

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide (CID 70876869) is 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide is COCc1ccc(C(=O)N(C)C)cc1-c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide?
The InChIKey is FQDTWCOADBAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-19(2)17(20)13-4-5-14(11-21-3)16(10-13)12-6-8-15(18)9-7-12/h4-10H,11H2,1-3H3.
What are the key properties of 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide?
3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide has a molecular weight of 395.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-4-(methoxymethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 70876869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).