chlorobenzene;4-ethyl-3-nitrobenzamide

C15H15ClN2O3 — CID 174709581

IUPACchlorobenzene;4-ethyl-3-nitrobenzamide
SMILESCCc1ccc(C(N)=O)cc1[N+](=O)[O-].Clc1ccccc1
InChIInChI=1S/C9H10N2O3.C6H5Cl/c1-2-6-3-4-7(9(10)12)5-8(6)11(13)14;7-6-4-2-1-3-5-6/h3-5H,2H2,1H3,(H2,10,12);1-5H
InChIKeyGCYPOCYCPKLMRY-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.60
Rot. Bonds3

About chlorobenzene;4-ethyl-3-nitrobenzamide

chlorobenzene;4-ethyl-3-nitrobenzamide (PubChem CID 174709581) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is chlorobenzene;4-ethyl-3-nitrobenzamide.

Molecular Properties

Compound Namechlorobenzene;4-ethyl-3-nitrobenzamide
PubChem CID174709581
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namechlorobenzene;4-ethyl-3-nitrobenzamide
SMILESCCc1ccc(C(N)=O)cc1[N+](=O)[O-].Clc1ccccc1
InChIInChI=1S/C9H10N2O3.C6H5Cl/c1-2-6-3-4-7(9(10)12)5-8(6)11(13)14;7-6-4-2-1-3-5-6/h3-5H,2H2,1H3,(H2,10,12);1-5H
InChIKeyGCYPOCYCPKLMRY-UHFFFAOYSA-N
XLogP3.60
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.60
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'}

Analyze chlorobenzene;4-ethyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-nitrobenzamide
CID 57169483
2-(4-carbamoyl-2-nitrophenyl)acetic acid
CID 4067270
3-ethyl-4-nitrobenzamide
CID 67525718
4-[(2-chlorophenyl)sulfanylmethyl]-3-nitrobenzamide
CID 27312029
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-nitrobenzamide
CID 34700377
ethyl 4-ethyl-3-nitrobenzoate
CID 43448997
(4-carbamoyl-2-nitrophenyl)methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 27313710
(4-carbamoyl-2-nitrophenyl)methyl 3-methyl-2-phenylpentanoate
CID 42922242
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-nitrobenzamide
CID 34703839
3-[(4-carbamoyl-2-nitrophenyl)methyl-methylamino]propanoic acid
CID 60986908
2-chloro-1-(4-ethyl-3-nitrophenyl)propan-1-one
CID 82044523

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;4-ethyl-3-nitrobenzamide?
The IUPAC name of chlorobenzene;4-ethyl-3-nitrobenzamide (CID 174709581) is chlorobenzene;4-ethyl-3-nitrobenzamide.
What is the SMILES notation for chlorobenzene;4-ethyl-3-nitrobenzamide?
The canonical SMILES for chlorobenzene;4-ethyl-3-nitrobenzamide is CCc1ccc(C(N)=O)cc1[N+](=O)[O-].Clc1ccccc1.
What is the InChIKey of chlorobenzene;4-ethyl-3-nitrobenzamide?
The InChIKey is GCYPOCYCPKLMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.C6H5Cl/c1-2-6-3-4-7(9(10)12)5-8(6)11(13)14;7-6-4-2-1-3-5-6/h3-5H,2H2,1H3,(H2,10,12);1-5H.
What are the key properties of chlorobenzene;4-ethyl-3-nitrobenzamide?
chlorobenzene;4-ethyl-3-nitrobenzamide has a molecular weight of 306.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;4-ethyl-3-nitrobenzamide is sourced from PubChem (CID 174709581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).