N-hex-5-ynyl-4-(trifluoromethyl)benzamide

C14H14F3NO — CID 103758068

IUPACN-hex-5-ynyl-4-(trifluoromethyl)benzamide
SMILESC#CCCCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-2-3-4-5-10-18-13(19)11-6-8-12(9-7-11)14(15,16)17/h1,6-9H,3-5,10H2,(H,18,19)
InChIKeyKERNHSOUPVWHMA-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.24
Rot. Bonds5

About N-hex-5-ynyl-4-(trifluoromethyl)benzamide

N-hex-5-ynyl-4-(trifluoromethyl)benzamide (PubChem CID 103758068) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-hex-5-ynyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-hex-5-ynyl-4-(trifluoromethyl)benzamide
PubChem CID103758068
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-hex-5-ynyl-4-(trifluoromethyl)benzamide
SMILESC#CCCCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-2-3-4-5-10-18-13(19)11-6-8-12(9-7-11)14(15,16)17/h1,6-9H,3-5,10H2,(H,18,19)
InChIKeyKERNHSOUPVWHMA-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(trifluoromethyl)benzamide
CID 108924365
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide
CID 151632783
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
3-amino-4-bromo-N-hex-5-ynylbenzamide
CID 106208187
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-hex-5-ynyl-4-(trifluoromethyl)benzamide (CID 103758068) is N-hex-5-ynyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-hex-5-ynyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-hex-5-ynyl-4-(trifluoromethyl)benzamide is C#CCCCCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hex-5-ynyl-4-(trifluoromethyl)benzamide?
The InChIKey is KERNHSOUPVWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-3-4-5-10-18-13(19)11-6-8-12(9-7-11)14(15,16)17/h1,6-9H,3-5,10H2,(H,18,19).
What are the key properties of N-hex-5-ynyl-4-(trifluoromethyl)benzamide?
N-hex-5-ynyl-4-(trifluoromethyl)benzamide has a molecular weight of 269.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 103758068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).