N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide

C15H12ClN3O4 — CID 47064408

IUPACN-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H12ClN3O4/c1-9(20)17-11-4-7-13(16)14(8-11)18-15(21)10-2-5-12(6-3-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyWGTSRAARVFVHMM-UHFFFAOYSA-N
MW333.73 g/mol
LogP3.46
Rot. Bonds4

About N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide

N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide (PubChem CID 47064408) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
PubChem CID47064408
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H12ClN3O4/c1-9(20)17-11-4-7-13(16)14(8-11)18-15(21)10-2-5-12(6-3-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyWGTSRAARVFVHMM-UHFFFAOYSA-N
XLogP3.46
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 53.46
H-Bond Donors ≤ 52
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-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55916990
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide (CID 47064408) is N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide?
The InChIKey is WGTSRAARVFVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c1-9(20)17-11-4-7-13(16)14(8-11)18-15(21)10-2-5-12(6-3-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide?
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide has a molecular weight of 333.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 47064408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).