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

C14H17F3INO — CID 56531059

IUPACN-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(I)c1
InChIInChI=1S/C14H17F3INO/c1-13(2,3)8-19(9-14(15,16)17)12(20)10-5-4-6-11(18)7-10/h4-7H,8-9H2,1-3H3
InChIKeyRVDDUCFREWXSME-UHFFFAOYSA-N
MW399.19 g/mol
LogP4.34
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 56531059) has the molecular formula C14H17F3INO and a molecular weight of 399.19 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID56531059
Molecular FormulaC14H17F3INO
Molecular Weight399.19 g/mol
Exact Mass399.03
IUPAC NameN-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(I)c1
InChIInChI=1S/C14H17F3INO/c1-13(2,3)8-19(9-14(15,16)17)12(20)10-5-4-6-11(18)7-10/h4-7H,8-9H2,1-3H3
InChIKeyRVDDUCFREWXSME-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 54.34
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

3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 86890747
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
2-[tert-butyl-(3-iodobenzoyl)amino]acetic acid
CID 79265858
4-bromo-N-(2,2-dimethylpropyl)-3,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531217
4,4,4-trifluoro-1-(3-iodophenyl)butan-1-one
CID 114976562
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide (CID 56531059) is N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide is CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(I)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RVDDUCFREWXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3INO/c1-13(2,3)8-19(9-14(15,16)17)12(20)10-5-4-6-11(18)7-10/h4-7H,8-9H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide?
N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 399.19 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 56531059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).