N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide

C17H12Cl2N4O3 — CID 1225788

IUPACN-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C17H12Cl2N4O3/c18-13-5-6-15(19)16(7-13)21-17(24)12-3-1-11(2-4-12)9-22-10-14(8-20-22)23(25)26/h1-8,10H,9H2,(H,21,24)
InChIKeyZVRSZLXXWILANL-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.40
Rot. Bonds5

About N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide

N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide (PubChem CID 1225788) has the molecular formula C17H12Cl2N4O3 and a molecular weight of 391.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
PubChem CID1225788
Molecular FormulaC17H12Cl2N4O3
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC NameN-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C17H12Cl2N4O3/c18-13-5-6-15(19)16(7-13)21-17(24)12-3-1-11(2-4-12)9-22-10-14(8-20-22)23(25)26/h1-8,10H,9H2,(H,21,24)
InChIKeyZVRSZLXXWILANL-UHFFFAOYSA-N
XLogP4.40
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.40
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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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1014836
N,1-dimethyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19408910
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
N-(1-methylpyrazol-3-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 19405002
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
CID 1229718
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 19322693
N-[(4-methylphenyl)methyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1017880
N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
CID 19062952
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841219
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 19325394
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide (CID 1225788) is N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The InChIKey is ZVRSZLXXWILANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3/c18-13-5-6-15(19)16(7-13)21-17(24)12-3-1-11(2-4-12)9-22-10-14(8-20-22)23(25)26/h1-8,10H,9H2,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide has a molecular weight of 391.21 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 1225788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).