3-nitro-N-(4-propylphenyl)benzamide

C16H16N2O3 — CID 8803025

IUPAC3-nitro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-4-12-7-9-14(10-8-12)17-16(19)13-5-3-6-15(11-13)18(20)21/h3,5-11H,2,4H2,1H3,(H,17,19)
InChIKeyVKCIHFSBZJCLEG-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.80
Rot. Bonds5

About 3-nitro-N-(4-propylphenyl)benzamide

3-nitro-N-(4-propylphenyl)benzamide (PubChem CID 8803025) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-nitro-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-propylphenyl)benzamide
PubChem CID8803025
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-nitro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-4-12-7-9-14(10-8-12)17-16(19)13-5-3-6-15(11-13)18(20)21/h3,5-11H,2,4H2,1H3,(H,17,19)
InChIKeyVKCIHFSBZJCLEG-UHFFFAOYSA-N
XLogP3.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.80
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

N-[4-(2-bromoethyl)phenyl]-3-nitrobenzamide
CID 114310201
3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
N-(4-butan-2-yloxyphenyl)-3-nitrobenzamide
CID 17160534
3-nitro-N-(4-pentoxyphenyl)benzamide
CID 2281129
N-(4-butylphenyl)-3-nitrobenzenecarbothioamide
CID 3005910
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
CID 8732756
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(4-propylphenyl)benzamide?
The IUPAC name of 3-nitro-N-(4-propylphenyl)benzamide (CID 8803025) is 3-nitro-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-propylphenyl)benzamide?
The canonical SMILES for 3-nitro-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-nitro-N-(4-propylphenyl)benzamide?
The InChIKey is VKCIHFSBZJCLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-4-12-7-9-14(10-8-12)17-16(19)13-5-3-6-15(11-13)18(20)21/h3,5-11H,2,4H2,1H3,(H,17,19).
What are the key properties of 3-nitro-N-(4-propylphenyl)benzamide?
3-nitro-N-(4-propylphenyl)benzamide has a molecular weight of 284.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 8803025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).