N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide

C14H19FN2O — CID 155741497

IUPACN-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-11(18)16-12-6-7-14(13(15)10-12)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyKPIXSTKFRSDZTO-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.16
Rot. Bonds2

About N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide

N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide (PubChem CID 155741497) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
PubChem CID155741497
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-11(18)16-12-6-7-14(13(15)10-12)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyKPIXSTKFRSDZTO-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
2-[4-(azepan-1-yl)-3-fluoroanilino]ethene-1,1,2-tricarbonitrile
CID 168607976
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide (CID 155741497) is N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide is CC(=O)Nc1ccc(N2CCCCCC2)c(F)c1.
What is the InChIKey of N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide?
The InChIKey is KPIXSTKFRSDZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11(18)16-12-6-7-14(13(15)10-12)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide?
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide has a molecular weight of 250.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide is sourced from PubChem (CID 155741497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).