3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide

C12H14ClNO4 — CID 62326853

IUPAC3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C12H14ClNO4/c1-14-11(16)3-4-18-12-9(13)5-8(7-15)6-10(12)17-2/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyZPCOUDMLTYOPBD-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.68
Rot. Bonds6

About 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide

3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide (PubChem CID 62326853) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
PubChem CID62326853
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Cl)cc(C=O)cc1OC
InChIInChI=1S/C12H14ClNO4/c1-14-11(16)3-4-18-12-9(13)5-8(7-15)6-10(12)17-2/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyZPCOUDMLTYOPBD-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide 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

3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-(2-hydroxy-3-methoxypropoxy)-5-methoxybenzaldehyde
CID 63930082
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-(2-chloro-4-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623698
3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide?
The IUPAC name of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide (CID 62326853) is 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide is CNC(=O)CCOc1c(Cl)cc(C=O)cc1OC.
What is the InChIKey of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide?
The InChIKey is ZPCOUDMLTYOPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-14-11(16)3-4-18-12-9(13)5-8(7-15)6-10(12)17-2/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide?
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide has a molecular weight of 271.70 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide is sourced from PubChem (CID 62326853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).