2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide

C14H18ClFN2O — CID 4879550

IUPAC2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O/c15-11-5-6-13(12(16)9-11)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
InChIKeyWKZPYVDCLMCNDR-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.29
Rot. Bonds3

About 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide

2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 4879550) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID4879550
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O/c15-11-5-6-13(12(16)9-11)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
InChIKeyWKZPYVDCLMCNDR-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide (CID 4879550) is 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide is O=C(CN1CCCCCC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is WKZPYVDCLMCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-11-5-6-13(12(16)9-11)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide has a molecular weight of 284.76 g/mol, XLogP of 3.29, 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-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 4879550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).