N-acetyl-5-chloro-2-nitrobenzamide

C9H7ClN2O4 — CID 61216177

IUPACN-acetyl-5-chloro-2-nitrobenzamide
SMILESCC(=O)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H7ClN2O4/c1-5(13)11-9(14)7-4-6(10)2-3-8(7)12(15)16/h2-4H,1H3,(H,11,13,14)
InChIKeyFSXVTNYVWMWHRK-UHFFFAOYSA-N
MW242.62 g/mol
LogP1.52
Rot. Bonds2

About N-acetyl-5-chloro-2-nitrobenzamide

N-acetyl-5-chloro-2-nitrobenzamide (PubChem CID 61216177) has the molecular formula C9H7ClN2O4 and a molecular weight of 242.62 g/mol. Its IUPAC name is N-acetyl-5-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-acetyl-5-chloro-2-nitrobenzamide
PubChem CID61216177
Molecular FormulaC9H7ClN2O4
Molecular Weight242.62 g/mol
Exact Mass242.01
IUPAC NameN-acetyl-5-chloro-2-nitrobenzamide
SMILESCC(=O)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H7ClN2O4/c1-5(13)11-9(14)7-4-6(10)2-3-8(7)12(15)16/h2-4H,1H3,(H,11,13,14)
InChIKeyFSXVTNYVWMWHRK-UHFFFAOYSA-N
XLogP1.52
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 51.52
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'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
1-tert-butyl-3-[(5-chloro-2-nitrobenzoyl)amino]thiourea
CID 9088882
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
N-but-3-en-2-yl-5-chloro-2-nitrobenzamide
CID 115692165
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
5-chloro-N-decyl-2-nitrobenzamide
CID 4113586
5-chloro-N-(3-chlorobutyl)-2-nitrobenzamide
CID 113272743

Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-chloro-2-nitrobenzamide?
The IUPAC name of N-acetyl-5-chloro-2-nitrobenzamide (CID 61216177) is N-acetyl-5-chloro-2-nitrobenzamide.
What is the SMILES notation for N-acetyl-5-chloro-2-nitrobenzamide?
The canonical SMILES for N-acetyl-5-chloro-2-nitrobenzamide is CC(=O)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-acetyl-5-chloro-2-nitrobenzamide?
The InChIKey is FSXVTNYVWMWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O4/c1-5(13)11-9(14)7-4-6(10)2-3-8(7)12(15)16/h2-4H,1H3,(H,11,13,14).
What are the key properties of N-acetyl-5-chloro-2-nitrobenzamide?
N-acetyl-5-chloro-2-nitrobenzamide has a molecular weight of 242.62 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-chloro-2-nitrobenzamide is sourced from PubChem (CID 61216177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).