3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide

C16H15ClN2O3 — CID 17178933

IUPAC3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-11-6-8-13(19(21)22)10-15(11)18-16(20)9-7-12-4-2-3-5-14(12)17/h2-6,8,10H,7,9H2,1H3,(H,18,20)
InChIKeyHPKBBFOZJSBWSD-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.13
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide

3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 17178933) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID17178933
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-11-6-8-13(19(21)22)10-15(11)18-16(20)9-7-12-4-2-3-5-14(12)17/h2-6,8,10H,7,9H2,1H3,(H,18,20)
InChIKeyHPKBBFOZJSBWSD-UHFFFAOYSA-N
XLogP4.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.13
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

2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 29252079
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
N-(2-methyl-5-nitrophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354726

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide (CID 17178933) is 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is HPKBBFOZJSBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11-6-8-13(19(21)22)10-15(11)18-16(20)9-7-12-4-2-3-5-14(12)17/h2-6,8,10H,7,9H2,1H3,(H,18,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide?
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 318.76 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 17178933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).