2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide

C18H20INO — CID 60631043

IUPAC2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CN(C)C(=O)c2ccccc2I)cc1
InChIInChI=1S/C18H20INO/c1-13(2)15-10-8-14(9-11-15)12-20(3)18(21)16-6-4-5-7-17(16)19/h4-11,13H,12H2,1-3H3
InChIKeyPSBJAYZJKVRQLS-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.69
Rot. Bonds4

About 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide

2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 60631043) has the molecular formula C18H20INO and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID60631043
Molecular FormulaC18H20INO
Molecular Weight393.27 g/mol
Exact Mass393.06
IUPAC Name2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CN(C)C(=O)c2ccccc2I)cc1
InChIInChI=1S/C18H20INO/c1-13(2)15-10-8-14(9-11-15)12-20(3)18(21)16-6-4-5-7-17(16)19/h4-11,13H,12H2,1-3H3
InChIKeyPSBJAYZJKVRQLS-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.69
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

2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 60631043) is 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide is CC(C)c1ccc(CN(C)C(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is PSBJAYZJKVRQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO/c1-13(2)15-10-8-14(9-11-15)12-20(3)18(21)16-6-4-5-7-17(16)19/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 393.27 g/mol, XLogP of 4.69, 4 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-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 60631043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).