N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide

C15H12Cl2N2O4 — CID 5206007

IUPACN-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-12-4-2-3-10(16)7-12)15(20)18-11-5-6-13(17)14(8-11)19(21)22/h2-9H,1H3,(H,18,20)
InChIKeyGWFCTLMXMIWNHD-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.31
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide

N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 5206007) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID5206007
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-12-4-2-3-10(16)7-12)15(20)18-11-5-6-13(17)14(8-11)19(21)22/h2-9H,1H3,(H,18,20)
InChIKeyGWFCTLMXMIWNHD-UHFFFAOYSA-N
XLogP4.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
CID 1177889
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55323709
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide (CID 5206007) is N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is GWFCTLMXMIWNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9(23-12-4-2-3-10(16)7-12)15(20)18-11-5-6-13(17)14(8-11)19(21)22/h2-9H,1H3,(H,18,20).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide?
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 355.18 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 5206007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).