2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

C17H18ClN5O2 — CID 8891065

IUPAC2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClN5O2/c18-14-5-2-1-4-13(14)16(25)21-12-15(24)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H,21,25)
InChIKeyGRVPUSCAFMJOIT-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.21
Rot. Bonds4

About 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 8891065) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID8891065
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClN5O2/c18-14-5-2-1-4-13(14)16(25)21-12-15(24)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H,21,25)
InChIKeyGRVPUSCAFMJOIT-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
1-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 110414748
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
3-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 9243315
N-[2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 119118104
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
3-(2-chloroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030439
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27825892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 8891065) is 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is GRVPUSCAFMJOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-14-5-2-1-4-13(14)16(25)21-12-15(24)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H,21,25).
What are the key properties of 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 359.82 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 8891065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).