3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C13H15F3INO — CID 54938230

IUPAC3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cccc(I)c1
InChIInChI=1S/C13H15F3INO/c1-9(2)7-18(8-13(14,15)16)12(19)10-4-3-5-11(17)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyOBIIUSLJXPCGTQ-UHFFFAOYSA-N
MW385.17 g/mol
LogP3.95
Rot. Bonds4

About 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 54938230) has the molecular formula C13H15F3INO and a molecular weight of 385.17 g/mol. Its IUPAC name is 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID54938230
Molecular FormulaC13H15F3INO
Molecular Weight385.17 g/mol
Exact Mass385.02
IUPAC Name3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cccc(I)c1
InChIInChI=1S/C13H15F3INO/c1-9(2)7-18(8-13(14,15)16)12(19)10-4-3-5-11(17)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyOBIIUSLJXPCGTQ-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 53.95
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-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 56531059
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 76917368
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 60779427
2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 54938230) is 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)CN(CC(F)(F)F)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OBIIUSLJXPCGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3INO/c1-9(2)7-18(8-13(14,15)16)12(19)10-4-3-5-11(17)6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 385.17 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 54938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).