2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

C18H27FN2O — CID 46657908

IUPAC2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-14(2)18(15-7-9-16(19)10-8-15)20-17(22)13-21-11-5-3-4-6-12-21/h7-10,14,18H,3-6,11-13H2,1-2H3,(H,20,22)
InChIKeyQLIYHCBHGRRFQU-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.52
Rot. Bonds5

About 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 46657908) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID46657908
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-14(2)18(15-7-9-16(19)10-8-15)20-17(22)13-21-11-5-3-4-6-12-21/h7-10,14,18H,3-6,11-13H2,1-2H3,(H,20,22)
InChIKeyQLIYHCBHGRRFQU-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 55468968
1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903905
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46444722
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46828413
(3aS,6aR)-2-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680177
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (CID 46657908) is 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)CN1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is QLIYHCBHGRRFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-14(2)18(15-7-9-16(19)10-8-15)20-17(22)13-21-11-5-3-4-6-12-21/h7-10,14,18H,3-6,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 306.43 g/mol, XLogP of 3.52, 5 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-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 46657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).