N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide

C10H10F3IN2O — CID 119384158

IUPACN-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
SMILESNCCNC(=O)c1cc(I)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3IN2O/c11-10(12,13)7-3-6(4-8(14)5-7)9(17)16-2-1-15/h3-5H,1-2,15H2,(H,16,17)
InChIKeyGLTZAPDTBJEGLC-UHFFFAOYSA-N
MW358.10 g/mol
LogP2.00
Rot. Bonds3

About N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide

N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide (PubChem CID 119384158) has the molecular formula C10H10F3IN2O and a molecular weight of 358.10 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
PubChem CID119384158
Molecular FormulaC10H10F3IN2O
Molecular Weight358.10 g/mol
Exact Mass357.98
IUPAC NameN-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
SMILESNCCNC(=O)c1cc(I)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3IN2O/c11-10(12,13)7-3-6(4-8(14)5-7)9(17)16-2-1-15/h3-5H,1-2,15H2,(H,16,17)
InChIKeyGLTZAPDTBJEGLC-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-iodo-5-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119177398
3-iodo-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzamide
CID 119432359
2-chloro-1-[3-iodo-5-(trifluoromethyl)phenyl]ethanone
CID 130132483
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 130381501
N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119383232
N-(3-bromopropyl)-3,5-bis(trifluoromethyl)benzamide
CID 132941155
3-iodo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119512777
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide (CID 119384158) is N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide is NCCNC(=O)c1cc(I)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide?
The InChIKey is GLTZAPDTBJEGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN2O/c11-10(12,13)7-3-6(4-8(14)5-7)9(17)16-2-1-15/h3-5H,1-2,15H2,(H,16,17).
What are the key properties of N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide?
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide has a molecular weight of 358.10 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 119384158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).