N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide

C19H21ClN4O3 — CID 4202544

IUPACN-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN4O3/c1-14(19(25)21-18-13-16(24(26)27)7-8-17(18)20)22-9-11-23(12-10-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,25)
InChIKeyLUMJZHOCKKCZJD-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.40
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide

N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 4202544) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID4202544
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN4O3/c1-14(19(25)21-18-13-16(24(26)27)7-8-17(18)20)22-9-11-23(12-10-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,25)
InChIKeyLUMJZHOCKKCZJD-UHFFFAOYSA-N
XLogP3.40
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 4202544) is N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide is CC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is LUMJZHOCKKCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-14(19(25)21-18-13-16(24(26)27)7-8-17(18)20)22-9-11-23(12-10-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,25).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 388.86 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4202544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).