N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C24H24ClN5O3 — CID 55470848

IUPACN-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(c1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H24ClN5O3/c25-21-10-9-19(16-22(21)30(32)33)27-24(31)23(18-6-2-1-3-7-18)29-14-12-28(13-15-29)17-20-8-4-5-11-26-20/h1-11,16,23H,12-15,17H2,(H,27,31)
InChIKeyUDRPGLPPLXOVGJ-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.14
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 55470848) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID55470848
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(c1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H24ClN5O3/c25-21-10-9-19(16-22(21)30(32)33)27-24(31)23(18-6-2-1-3-7-18)29-14-12-28(13-15-29)17-20-8-4-5-11-26-20/h1-11,16,23H,12-15,17H2,(H,27,31)
InChIKeyUDRPGLPPLXOVGJ-UHFFFAOYSA-N
XLogP4.14
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470928
(2S)-N-(4-chloro-3-nitrophenyl)-2-[(3R,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-phenylacetamide
CID 95785789
(2S)-N-(4-chloro-3-nitrophenyl)-2-[(3S,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-phenylacetamide
CID 124866133
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(4-methyl-3-nitrophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727808
N-[1-[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55843039
(2R)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
CID 51720176
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
CID 51927903
N-(4-chloro-3-nitrophenyl)-2-phenyl-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 60563885
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 92863490
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 55470161

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 55470848) is N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(c1ccccc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is UDRPGLPPLXOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c25-21-10-9-19(16-22(21)30(32)33)27-24(31)23(18-6-2-1-3-7-18)29-14-12-28(13-15-29)17-20-8-4-5-11-26-20/h1-11,16,23H,12-15,17H2,(H,27,31).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 465.94 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55470848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).