N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide

C12H14F3IN2O — CID 172648729

IUPACN-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
SMILESCN(C)CCNC(=O)c1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C12H14F3IN2O/c1-18(2)6-5-17-11(19)9-7-8(12(13,14)15)3-4-10(9)16/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyWAOMZBYTHGTYLH-UHFFFAOYSA-N
MW386.16 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide

N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide (PubChem CID 172648729) has the molecular formula C12H14F3IN2O and a molecular weight of 386.16 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
PubChem CID172648729
Molecular FormulaC12H14F3IN2O
Molecular Weight386.16 g/mol
Exact Mass386.01
IUPAC NameN-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
SMILESCN(C)CCNC(=O)c1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C12H14F3IN2O/c1-18(2)6-5-17-11(19)9-7-8(12(13,14)15)3-4-10(9)16/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyWAOMZBYTHGTYLH-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175986707
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide (CID 172648729) is N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide is CN(C)CCNC(=O)c1cc(C(F)(F)F)ccc1I.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide?
The InChIKey is WAOMZBYTHGTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3IN2O/c1-18(2)6-5-17-11(19)9-7-8(12(13,14)15)3-4-10(9)16/h3-4,7H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide has a molecular weight of 386.16 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 172648729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).