2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

C14H15Cl2N3O — CID 47099773

IUPAC2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3O/c15-12-3-2-11(8-13(12)16)9-14(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20)
InChIKeyGRBTWCCNFGBJEI-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.94
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 47099773) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID47099773
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3O/c15-12-3-2-11(8-13(12)16)9-14(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20)
InChIKeyGRBTWCCNFGBJEI-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
CID 17066764
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
CID 91642461
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 47099773) is 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCCCn1ccnc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is GRBTWCCNFGBJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-12-3-2-11(8-13(12)16)9-14(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 312.20 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 47099773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).