N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide

C16H14ClNO4 — CID 23409469

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1Cl
InChIInChI=1S/C16H14ClNO4/c1-21-15-7-4-12(8-14(15)17)18-16(20)10-22-13-5-2-11(9-19)3-6-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyHMZROHLJURROAC-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.18
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide (PubChem CID 23409469) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
PubChem CID23409469
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1Cl
InChIInChI=1S/C16H14ClNO4/c1-21-15-7-4-12(8-14(15)17)18-16(20)10-22-13-5-2-11(9-19)3-6-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyHMZROHLJURROAC-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 8733630
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174245
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide (CID 23409469) is N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide is COc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide?
The InChIKey is HMZROHLJURROAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-21-15-7-4-12(8-14(15)17)18-16(20)10-22-13-5-2-11(9-19)3-6-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide has a molecular weight of 319.74 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 23409469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).