2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide

C19H20Cl2N4O3 — CID 50881625

IUPAC2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
SMILESCCN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-23-7-9-24(10-8-23)17-12-16(15(21)11-18(17)25(27)28)22-19(26)13-5-3-4-6-14(13)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,26)
InChIKeyRXLYMURZWVJBPR-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.30
Rot. Bonds5

About 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide

2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide (PubChem CID 50881625) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
PubChem CID50881625
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
SMILESCCN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-23-7-9-24(10-8-23)17-12-16(15(21)11-18(17)25(27)28)22-19(26)13-5-3-4-6-14(13)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,26)
InChIKeyRXLYMURZWVJBPR-UHFFFAOYSA-N
XLogP4.30
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.30
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

3,4-dichloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881487
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide
CID 50881444
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
3-chloro-N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)benzamide
CID 50881507
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
CID 50881808
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 50881707
N-[2-chloro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]-3-methoxybenzamide
CID 50881799
1-(4-chloro-2-nitrophenyl)-4-ethylpiperazine
CID 50879402
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide (CID 50881625) is 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide is CCN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide?
The InChIKey is RXLYMURZWVJBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-2-23-7-9-24(10-8-23)17-12-16(15(21)11-18(17)25(27)28)22-19(26)13-5-3-4-6-14(13)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,26).
What are the key properties of 2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide?
2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide has a molecular weight of 423.30 g/mol, XLogP of 4.30, 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-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide is sourced from PubChem (CID 50881625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).