2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide

C13H16F3N3O2 — CID 106241135

IUPAC2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)CCCCNC(=O)c1cccc(C(F)(F)F)c1N
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-5-3-4-8(11(9)18)12(21)19-7-2-1-6-10(17)20/h3-5H,1-2,6-7,18H2,(H2,17,20)(H,19,21)
InChIKeySNPLFKUXBHJMNL-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.67
Rot. Bonds6

About 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide

2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide (PubChem CID 106241135) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide
PubChem CID106241135
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)CCCCNC(=O)c1cccc(C(F)(F)F)c1N
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-5-3-4-8(11(9)18)12(21)19-7-2-1-6-10(17)20/h3-5H,1-2,6-7,18H2,(H2,17,20)(H,19,21)
InChIKeySNPLFKUXBHJMNL-UHFFFAOYSA-N
XLogP1.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 106383418
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
2,3-diamino-N-hexadecylbenzamide
CID 68850287
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide (CID 106241135) is 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide is NC(=O)CCCCNC(=O)c1cccc(C(F)(F)F)c1N.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is SNPLFKUXBHJMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)9-5-3-4-8(11(9)18)12(21)19-7-2-1-6-10(17)20/h3-5H,1-2,6-7,18H2,(H2,17,20)(H,19,21).
What are the key properties of 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide?
2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-5-oxopentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106241135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).