4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide

C19H20Cl2N2O4 — CID 55789835

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O4/c1-11(24)12-5-6-16(17(8-12)26-2)27-7-3-4-18(25)23-13-9-14(20)19(22)15(21)10-13/h5-6,8-10H,3-4,7,22H2,1-2H3,(H,23,25)
InChIKeyBEMTVNFOEIXIQD-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.58
Rot. Bonds8

About 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide (PubChem CID 55789835) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
PubChem CID55789835
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O4/c1-11(24)12-5-6-16(17(8-12)26-2)27-7-3-4-18(25)23-13-9-14(20)19(22)15(21)10-13/h5-6,8-10H,3-4,7,22H2,1-2H3,(H,23,25)
InChIKeyBEMTVNFOEIXIQD-UHFFFAOYSA-N
XLogP4.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
CID 55894328
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(2,6-dichlorophenyl)ethyl]butanamide
CID 60566414
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 55741827
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
N-(4-amino-3,5-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 51193233
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide (CID 55789835) is 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide?
The InChIKey is BEMTVNFOEIXIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-11(24)12-5-6-16(17(8-12)26-2)27-7-3-4-18(25)23-13-9-14(20)19(22)15(21)10-13/h5-6,8-10H,3-4,7,22H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide has a molecular weight of 411.29 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide is sourced from PubChem (CID 55789835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).