2-iodo-N-methyl-N-(1-phenylethyl)benzamide

C16H16INO — CID 60655087

IUPAC2-iodo-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C16H16INO/c1-12(13-8-4-3-5-9-13)18(2)16(19)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKeyXZHNVQOTZKJPBJ-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.12
Rot. Bonds3

About 2-iodo-N-methyl-N-(1-phenylethyl)benzamide

2-iodo-N-methyl-N-(1-phenylethyl)benzamide (PubChem CID 60655087) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(1-phenylethyl)benzamide
PubChem CID60655087
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name2-iodo-N-methyl-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C16H16INO/c1-12(13-8-4-3-5-9-13)18(2)16(19)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKeyXZHNVQOTZKJPBJ-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
methyl (2S)-2-[(2-iodobenzoyl)-methylamino]propanoate
CID 100647713
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
methyl(1-phenylethyl)carbamic acid
CID 67062794
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 99801523
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(1-phenylethyl)benzamide (CID 60655087) is 2-iodo-N-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(C)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is XZHNVQOTZKJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-12(13-8-4-3-5-9-13)18(2)16(19)14-10-6-7-11-15(14)17/h3-12H,1-2H3.
What are the key properties of 2-iodo-N-methyl-N-(1-phenylethyl)benzamide?
2-iodo-N-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 365.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 60655087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).