N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide

C18H20Cl2N2O3 — CID 109038365

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
SMILESCOc1cc(NC(=O)CCNc2cccc(Cl)c2C)c(OC)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-11-12(19)5-4-6-14(11)21-8-7-18(23)22-15-10-16(24-2)13(20)9-17(15)25-3/h4-6,9-10,21H,7-8H2,1-3H3,(H,22,23)
InChIKeySQSDLLCVFNMLKK-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.76
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide (PubChem CID 109038365) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
PubChem CID109038365
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
SMILESCOc1cc(NC(=O)CCNc2cccc(Cl)c2C)c(OC)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-11-12(19)5-4-6-14(11)21-8-7-18(23)22-15-10-16(24-2)13(20)9-17(15)25-3/h4-6,9-10,21H,7-8H2,1-3H3,(H,22,23)
InChIKeySQSDLLCVFNMLKK-UHFFFAOYSA-N
XLogP4.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide (CID 109038365) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide is COc1cc(NC(=O)CCNc2cccc(Cl)c2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide?
The InChIKey is SQSDLLCVFNMLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-11-12(19)5-4-6-14(11)21-8-7-18(23)22-15-10-16(24-2)13(20)9-17(15)25-3/h4-6,9-10,21H,7-8H2,1-3H3,(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide has a molecular weight of 383.28 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide is sourced from PubChem (CID 109038365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).