N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide

C15H12Cl2N2O3 — CID 1407398

IUPACN-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-3-1-2-10(8-11)4-7-15(20)18-12-5-6-13(17)14(9-12)19(21)22/h1-3,5-6,8-9H,4,7H2,(H,18,20)
InChIKeyYTQJAGFZKPXQKC-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.47
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide

N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide (PubChem CID 1407398) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
PubChem CID1407398
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-3-1-2-10(8-11)4-7-15(20)18-12-5-6-13(17)14(9-12)19(21)22/h1-3,5-6,8-9H,4,7H2,(H,18,20)
InChIKeyYTQJAGFZKPXQKC-UHFFFAOYSA-N
XLogP4.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.47
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,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-phenylpropanamide
CID 4627861
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide (CID 1407398) is N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide is O=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide?
The InChIKey is YTQJAGFZKPXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-3-1-2-10(8-11)4-7-15(20)18-12-5-6-13(17)14(9-12)19(21)22/h1-3,5-6,8-9H,4,7H2,(H,18,20).
What are the key properties of N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide?
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide has a molecular weight of 339.18 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 1407398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).