4-chloro-3-nitrobenzamide

C7H5ClN2O3 — CID 27942

IUPAC4-chloro-3-nitrobenzamide
SMILESNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKeyCGXRJCDXGJRBHV-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.35
Rot. Bonds2

About 4-chloro-3-nitrobenzamide

4-chloro-3-nitrobenzamide (PubChem CID 27942) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is 4-chloro-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-3-nitrobenzamide
PubChem CID27942
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name4-chloro-3-nitrobenzamide
SMILESNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKeyCGXRJCDXGJRBHV-UHFFFAOYSA-N
XLogP1.35
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Iniparib
CID 9796068
Benzoyl chloride, 3-nitro-
CID 8495
3-Nitrobenzamide
CID 12576
2-Chloro-5-nitrobenzaldehyde
CID 72933
3-Nitrosobenzamide
CID 1679
Aklomide
CID 2075
Benzamide, 3-amino-4-chloro-
CID 88200
4-Chloro-3-nitrobenzophenone
CID 41743
4-Chloro-3-nitrobenzaldehyde
CID 85505
4'-Chloro-3'-nitroacetophenone
CID 79596
4,4'-Dichloro-3,3'-dinitrobenzophenone
CID 348301
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitrobenzamide?
The IUPAC name of 4-chloro-3-nitrobenzamide (CID 27942) is 4-chloro-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-3-nitrobenzamide?
The canonical SMILES for 4-chloro-3-nitrobenzamide is NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitrobenzamide?
The InChIKey is CGXRJCDXGJRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11).
What are the key properties of 4-chloro-3-nitrobenzamide?
4-chloro-3-nitrobenzamide has a molecular weight of 200.58 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitrobenzamide is sourced from PubChem (CID 27942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).