N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

C16H21ClN2O2 — CID 2233784

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCCCC1
InChIInChI=1S/C16H21ClN2O2/c17-14-7-5-13(6-8-14)11-15(20)18-12-16(21)19-9-3-1-2-4-10-19/h5-8H,1-4,9-12H2,(H,18,20)
InChIKeyWTMYVSNVRDFGMG-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 2233784) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
PubChem CID2233784
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCCCC1
InChIInChI=1S/C16H21ClN2O2/c17-14-7-5-13(6-8-14)11-15(20)18-12-16(21)19-9-3-1-2-4-10-19/h5-8H,1-4,9-12H2,(H,18,20)
InChIKeyWTMYVSNVRDFGMG-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (CID 2233784) is N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is WTMYVSNVRDFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-7-5-13(6-8-14)11-15(20)18-12-16(21)19-9-3-1-2-4-10-19/h5-8H,1-4,9-12H2,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2233784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).