N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide

C14H8ClN3O3 — CID 103601732

IUPACN-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H8ClN3O3/c15-11-5-6-12(13(7-11)18(20)21)17-14(19)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,19)
InChIKeyZGYKWMOQOWSJRZ-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.37
Rot. Bonds3

About N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide

N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide (PubChem CID 103601732) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
PubChem CID103601732
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC NameN-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H8ClN3O3/c15-11-5-6-12(13(7-11)18(20)21)17-14(19)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,19)
InChIKeyZGYKWMOQOWSJRZ-UHFFFAOYSA-N
XLogP3.37
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601735
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 4948406
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091
5-bromo-N-(4-chloro-2-nitrophenyl)pyridine-3-carboxamide
CID 60651825
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
CID 78965092
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
CID 3442354
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide (CID 103601732) is N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide?
The InChIKey is ZGYKWMOQOWSJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-11-5-6-12(13(7-11)18(20)21)17-14(19)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,19).
What are the key properties of N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide?
N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide has a molecular weight of 301.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide is sourced from PubChem (CID 103601732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).