N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide

C17H18Cl2N2O3 — CID 46799719

IUPACN-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-10(17(22)21-15-8-11(18)4-6-13(15)19)20-14-7-5-12(23-2)9-16(14)24-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyVZDVWSQQMMKMCF-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.45
Rot. Bonds6

About N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide

N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide (PubChem CID 46799719) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
PubChem CID46799719
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-10(17(22)21-15-8-11(18)4-6-13(15)19)20-14-7-5-12(23-2)9-16(14)24-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyVZDVWSQQMMKMCF-UHFFFAOYSA-N
XLogP4.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 2689350
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42998409
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide (CID 46799719) is N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide is COc1ccc(NC(C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide?
The InChIKey is VZDVWSQQMMKMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-10(17(22)21-15-8-11(18)4-6-13(15)19)20-14-7-5-12(23-2)9-16(14)24-3/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide?
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide has a molecular weight of 369.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 46799719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).