3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide

C12H16Cl2N2O2 — CID 109015130

IUPAC3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-18-7-6-16-12(17)4-5-15-9-2-3-10(13)11(14)8-9/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyNSGMOUHALYFFCS-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.56
Rot. Bonds7

About 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide

3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 109015130) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
PubChem CID109015130
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-18-7-6-16-12(17)4-5-15-9-2-3-10(13)11(14)8-9/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyNSGMOUHALYFFCS-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805653
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024765
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide (CID 109015130) is 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is NSGMOUHALYFFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-18-7-6-16-12(17)4-5-15-9-2-3-10(13)11(14)8-9/h2-3,8,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide?
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 291.18 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 109015130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).