4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide

C13H13Cl2N3O — CID 63307734

IUPAC4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C13H13Cl2N3O/c14-6-2-5-12(19)17-11-4-1-3-10(15)13(11)18-8-7-16-9-18/h1,3-4,7-9H,2,5-6H2,(H,17,19)
InChIKeySGWOOLPEKCUGMC-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.48
Rot. Bonds5

About 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide

4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide (PubChem CID 63307734) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
PubChem CID63307734
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C13H13Cl2N3O/c14-6-2-5-12(19)17-11-4-1-3-10(15)13(11)18-8-7-16-9-18/h1,3-4,7-9H,2,5-6H2,(H,17,19)
InChIKeySGWOOLPEKCUGMC-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide
CID 60958498
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide?
The IUPAC name of 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide (CID 63307734) is 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide is O=C(CCCCl)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide?
The InChIKey is SGWOOLPEKCUGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-6-2-5-12(19)17-11-4-1-3-10(15)13(11)18-8-7-16-9-18/h1,3-4,7-9H,2,5-6H2,(H,17,19).
What are the key properties of 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide?
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide has a molecular weight of 298.17 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide is sourced from PubChem (CID 63307734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).