3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide

C16H16Cl2N2O2 — CID 109039529

IUPAC3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-12-5-2-4-11(10-12)20-15(21)8-9-19-14-7-3-6-13(17)16(14)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyPBKIRXVLTRGMQR-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.44
Rot. Bonds6

About 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide

3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide (PubChem CID 109039529) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
PubChem CID109039529
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-12-5-2-4-11(10-12)20-15(21)8-9-19-14-7-3-6-13(17)16(14)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyPBKIRXVLTRGMQR-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
CID 109039534
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide (CID 109039529) is 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide?
The InChIKey is PBKIRXVLTRGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-12-5-2-4-11(10-12)20-15(21)8-9-19-14-7-3-6-13(17)16(14)18/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide?
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide has a molecular weight of 339.22 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 109039529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).