N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide

C16H19F3N2O2 — CID 47063386

IUPACN-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-14(22)20-13-7-5-12(6-8-13)15(23)21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2,(H,20,22)
InChIKeyVFXCYLMLFRRRIS-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.59
Rot. Bonds3

About N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide

N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide (PubChem CID 47063386) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
PubChem CID47063386
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-14(22)20-13-7-5-12(6-8-13)15(23)21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2,(H,20,22)
InChIKeyVFXCYLMLFRRRIS-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 62491616
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
cyclopentyl-[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]azanium
CID 7406351
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
CID 20549334

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide (CID 47063386) is N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide?
The InChIKey is VFXCYLMLFRRRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)11-14(22)20-13-7-5-12(6-8-13)15(23)21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2,(H,20,22).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide?
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide has a molecular weight of 328.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 47063386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).