2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C14H17F3N2O — CID 2101664

IUPAC2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-10-5-6-11(14(17)13(10)16)18-12(20)9-19-7-3-1-2-4-8-19/h5-6H,1-4,7-9H2,(H,18,20)
InChIKeyWNROZSOABXSQKV-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.92
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2101664) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2101664
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-10-5-6-11(14(17)13(10)16)18-12(20)9-19-7-3-1-2-4-8-19/h5-6H,1-4,7-9H2,(H,18,20)
InChIKeyWNROZSOABXSQKV-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoacetanilide
CID 208384
2-Aminoacetanilide hydrochloride
CID 458752
Phenylacetylglycine Dimethylamide
CID 19536
Ethanaminium, N,N-dimethyl-2-oxo-N-(2-oxo-2-(phenylamino)ethyl)-2-(phenylamino)-, chloride (1:1)
CID 13966
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
N-Phenyl-1-piperidineacetamide
CID 78402
N-(4-(Diethylamino)phenyl)acetamide
CID 21400
2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
CID 223771
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
Acetamide, 2-anilino-N,N-dimethyl-
CID 203398
1-Piperazineacetamide, N-phenyl-
CID 218560
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 2101664) is 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1CCCCCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is WNROZSOABXSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-10-5-6-11(14(17)13(10)16)18-12(20)9-19-7-3-1-2-4-8-19/h5-6H,1-4,7-9H2,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 286.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2101664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).