4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

C20H19Cl2N3O2 — CID 52740396

IUPAC4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H19Cl2N3O2/c21-16-7-8-19(17(22)12-16)27-11-3-6-20(26)24-13-15-4-1-2-5-18(15)25-10-9-23-14-25/h1-2,4-5,7-10,12,14H,3,6,11,13H2,(H,24,26)
InChIKeyZVXCATYTWATZOP-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.65
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide (PubChem CID 52740396) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
PubChem CID52740396
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H19Cl2N3O2/c21-16-7-8-19(17(22)12-16)27-11-3-6-20(26)24-13-15-4-1-2-5-18(15)25-10-9-23-14-25/h1-2,4-5,7-10,12,14H,3,6,11,13H2,(H,24,26)
InChIKeyZVXCATYTWATZOP-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92673863
4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 39761431
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92686269
3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 75442044
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30307161
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide (CID 52740396) is 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
The InChIKey is ZVXCATYTWATZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c21-16-7-8-19(17(22)12-16)27-11-3-6-20(26)24-13-15-4-1-2-5-18(15)25-10-9-23-14-25/h1-2,4-5,7-10,12,14H,3,6,11,13H2,(H,24,26).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide has a molecular weight of 404.30 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 52740396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).