N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid

C11H20F3IN2O3 — CID 164577522

IUPACN-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid
SMILESNCCCCCCCNC(=O)CI.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19IN2O.C2HF3O2/c10-8-9(13)12-7-5-3-1-2-4-6-11;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13);(H,6,7)
InChIKeyRQWCBPJHUXACBB-UHFFFAOYSA-N
MW412.19 g/mol
LogP2.08
Rot. Bonds8

About N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid

N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid (PubChem CID 164577522) has the molecular formula C11H20F3IN2O3 and a molecular weight of 412.19 g/mol. Its IUPAC name is N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid
PubChem CID164577522
Molecular FormulaC11H20F3IN2O3
Molecular Weight412.19 g/mol
Exact Mass412.05
IUPAC NameN-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid
SMILESNCCCCCCCNC(=O)CI.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19IN2O.C2HF3O2/c10-8-9(13)12-7-5-3-1-2-4-6-11;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13);(H,6,7)
InChIKeyRQWCBPJHUXACBB-UHFFFAOYSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.19
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
5-[(2-iodoacetyl)amino]pentanoic acid
CID 3080900
CID 89207186
CID 89207186
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654
dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253

Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid (CID 164577522) is N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid is NCCCCCCCNC(=O)CI.O=C(O)C(F)(F)F.
What is the InChIKey of N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is RQWCBPJHUXACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2O.C2HF3O2/c10-8-9(13)12-7-5-3-1-2-4-6-11;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13);(H,6,7).
What are the key properties of N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid?
N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 412.19 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 164577522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).