4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

C16H19Cl2N3O2 — CID 2842888

IUPAC4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCn1ccnc1
InChIInChI=1S/C16H19Cl2N3O2/c17-13-4-5-15(14(18)11-13)23-10-1-3-16(22)20-6-2-8-21-9-7-19-12-21/h4-5,7,9,11-12H,1-3,6,8,10H2,(H,20,22)
InChIKeyVWDIBKBXOACWRL-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.56
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 2842888) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID2842888
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCn1ccnc1
InChIInChI=1S/C16H19Cl2N3O2/c17-13-4-5-15(14(18)11-13)23-10-1-3-16(22)20-6-2-8-21-9-7-19-12-21/h4-5,7,9,11-12H,1-3,6,8,10H2,(H,20,22)
InChIKeyVWDIBKBXOACWRL-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.56
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

4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
4-(2,4-dichlorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539485
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
4-(2-bromophenoxy)-N-(2-imidazol-1-ylethyl)butanamide
CID 47040734
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
CID 6493717
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide (CID 2842888) is 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCCn1ccnc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is VWDIBKBXOACWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-13-4-5-15(14(18)11-13)23-10-1-3-16(22)20-6-2-8-21-9-7-19-12-21/h4-5,7,9,11-12H,1-3,6,8,10H2,(H,20,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 356.25 g/mol, XLogP of 3.56, 9 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-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 2842888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).