N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide

C15H11Cl2NO3 — CID 2989004

IUPACN-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
SMILESO=Cc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H11Cl2NO3/c16-13-5-4-11(7-14(13)17)18-15(20)9-21-12-3-1-2-10(6-12)8-19/h1-8H,9H2,(H,18,20)
InChIKeyKWNUDGOWSQLKNZ-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.82
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide

N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide (PubChem CID 2989004) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
PubChem CID2989004
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC NameN-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
SMILESO=Cc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H11Cl2NO3/c16-13-5-4-11(7-14(13)17)18-15(20)9-21-12-3-1-2-10(6-12)8-19/h1-8H,9H2,(H,18,20)
InChIKeyKWNUDGOWSQLKNZ-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
(E)-2-cyano-3-[3-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide
CID 6186093
N-(3,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 2330512
2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384058
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 124549283
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
N-(4-butoxyphenyl)-N'-[(Z)-[3-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126167615

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide (CID 2989004) is N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide is O=Cc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide?
The InChIKey is KWNUDGOWSQLKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-13-5-4-11(7-14(13)17)18-15(20)9-21-12-3-1-2-10(6-12)8-19/h1-8H,9H2,(H,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide?
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide has a molecular weight of 324.16 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide is sourced from PubChem (CID 2989004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).