N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C22H24Cl2N4O3 — CID 171647718

IUPACN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H24Cl2N4O3/c23-15-4-3-6-17(21(15)24)28-12-10-27(11-13-28)9-8-25-20(29)14-19-22(30)26-16-5-1-2-7-18(16)31-19/h1-7,19H,8-14H2,(H,25,29)(H,26,30)
InChIKeyICPRZWJEEUIPGT-UHFFFAOYSA-N
MW463.37 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 171647718) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID171647718
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H24Cl2N4O3/c23-15-4-3-6-17(21(15)24)28-12-10-27(11-13-28)9-8-25-20(29)14-19-22(30)26-16-5-1-2-7-18(16)31-19/h1-7,19H,8-14H2,(H,25,29)(H,26,30)
InChIKeyICPRZWJEEUIPGT-UHFFFAOYSA-N
XLogP3.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 171647718) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is O=C(CC1Oc2ccccc2NC1=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is ICPRZWJEEUIPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c23-15-4-3-6-17(21(15)24)28-12-10-27(11-13-28)9-8-25-20(29)14-19-22(30)26-16-5-1-2-7-18(16)31-19/h1-7,19H,8-14H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 463.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 171647718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).