N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide

C12H15F3N2O — CID 79749483

IUPACN-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
SMILESCCC(CCN)NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2O/c1-2-7(5-6-16)17-12(18)8-3-4-9(13)11(15)10(8)14/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyCQHHKCJVXLQUIC-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.96
Rot. Bonds5

About N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide

N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide (PubChem CID 79749483) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
PubChem CID79749483
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
SMILESCCC(CCN)NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2O/c1-2-7(5-6-16)17-12(18)8-3-4-9(13)11(15)10(8)14/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyCQHHKCJVXLQUIC-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
CID 176704795
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
(2S)-3-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749135
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(1-amino-1-hydroxyiminopentan-2-yl)-2,3,4-trifluorobenzamide
CID 79754946
N-(1-aminopentan-3-yl)furan-3-carboxamide
CID 62653057
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]butanoic acid
CID 79749423
2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376547
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
(2S)-4-hydroxy-2-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 107822093
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide (CID 79749483) is N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide is CCC(CCN)NC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide?
The InChIKey is CQHHKCJVXLQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-7(5-6-16)17-12(18)8-3-4-9(13)11(15)10(8)14/h3-4,7H,2,5-6,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide?
N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide has a molecular weight of 260.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 79749483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).