2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C19H19ClN4O4 — CID 27825892

IUPAC2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl
InChIInChI=1S/C19H19ClN4O4/c20-15-6-2-1-5-14(15)19(26)21-13-18(25)23-11-9-22(10-12-23)16-7-3-4-8-17(16)24(27)28/h1-8H,9-13H2,(H,21,26)
InChIKeyKVUNXHOLJIEDIH-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.33
Rot. Bonds5

About 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide

2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 27825892) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID27825892
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl
InChIInChI=1S/C19H19ClN4O4/c20-15-6-2-1-5-14(15)19(26)21-13-18(25)23-11-9-22(10-12-23)16-7-3-4-8-17(16)24(27)28/h1-8H,9-13H2,(H,21,26)
InChIKeyKVUNXHOLJIEDIH-UHFFFAOYSA-N
XLogP2.33
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825019
2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 46562534
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4876133
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
N-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 31235669
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-chloro-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 43346839
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 31235679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 27825892) is 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is KVUNXHOLJIEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c20-15-6-2-1-5-14(15)19(26)21-13-18(25)23-11-9-22(10-12-23)16-7-3-4-8-17(16)24(27)28/h1-8H,9-13H2,(H,21,26).
What are the key properties of 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 402.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 27825892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).