N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide

C12H13F3N2O2 — CID 103896382

IUPACN-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
SMILESNC(=O)CCCCNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O2/c13-8-5-7(6-9(14)11(8)15)12(19)17-4-2-1-3-10(16)18/h5-6H,1-4H2,(H2,16,18)(H,17,19)
InChIKeyUHFHTOITOOVNSD-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.49
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide

N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide (PubChem CID 103896382) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
PubChem CID103896382
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
SMILESNC(=O)CCCCNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O2/c13-8-5-7(6-9(14)11(8)15)12(19)17-4-2-1-3-10(16)18/h5-6H,1-4H2,(H2,16,18)(H,17,19)
InChIKeyUHFHTOITOOVNSD-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186049
3,4,5-trifluoro-N-pent-4-ynylbenzamide
CID 103708893
4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
CID 155067191
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919
3,4,5-trifluoro-N-[(E)-pent-3-enyl]benzamide
CID 115627840
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
2-methyl-5-[(3,4,5-trifluorobenzoyl)amino]pentanoic acid
CID 104682373
N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
CID 106234962
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide (CID 103896382) is N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide is NC(=O)CCCCNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide?
The InChIKey is UHFHTOITOOVNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-8-5-7(6-9(14)11(8)15)12(19)17-4-2-1-3-10(16)18/h5-6H,1-4H2,(H2,16,18)(H,17,19).
What are the key properties of N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide?
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide has a molecular weight of 274.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 103896382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).