2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide

C19H19ClN4O4 — CID 31149102

IUPAC2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)Nc1ccccc1
InChIInChI=1S/C19H19ClN4O4/c20-14-6-7-16(17(12-14)24(27)28)19(26)23-10-8-22(9-11-23)13-18(25)21-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,25)
InChIKeyKKTRBKRPNKZFMU-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.64
Rot. Bonds5

About 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31149102) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31149102
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)Nc1ccccc1
InChIInChI=1S/C19H19ClN4O4/c20-14-6-7-16(17(12-14)24(27)28)19(26)23-10-8-22(9-11-23)13-18(25)21-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,25)
InChIKeyKKTRBKRPNKZFMU-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
(2-anilino-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 2504928
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151441
2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 46664005
ethyl 4-[2-[(4-chloro-2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311526
(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657
(4-chloro-2-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43391684
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435
2-[4-(2-amino-5-fluoro-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 52669343
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide (CID 31149102) is 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is KKTRBKRPNKZFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c20-14-6-7-16(17(12-14)24(27)28)19(26)23-10-8-22(9-11-23)13-18(25)21-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,25).
What are the key properties of 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 402.84 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31149102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).