N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide

C16H16Cl2N2O2 — CID 109039718

IUPACN-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-13-5-2-11(3-6-13)19-9-8-16(21)20-12-4-7-14(17)15(18)10-12/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyXUWJPZDKABXUSR-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.44
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide

N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide (PubChem CID 109039718) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
PubChem CID109039718
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-13-5-2-11(3-6-13)19-9-8-16(21)20-12-4-7-14(17)15(18)10-12/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyXUWJPZDKABXUSR-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

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042527
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide (CID 109039718) is N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
The InChIKey is XUWJPZDKABXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-13-5-2-11(3-6-13)19-9-8-16(21)20-12-4-7-14(17)15(18)10-12/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)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 N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109039718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).