5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide

C14H16ClN3O — CID 43697127

IUPAC5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H16ClN3O/c15-7-2-1-6-14(19)17-12-4-3-5-13(10-12)18-9-8-16-11-18/h3-5,8-11H,1-2,6-7H2,(H,17,19)
InChIKeyFXJPQTRYAGQUHG-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.22
Rot. Bonds6

About 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide

5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide (PubChem CID 43697127) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
PubChem CID43697127
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H16ClN3O/c15-7-2-1-6-14(19)17-12-4-3-5-13(10-12)18-9-8-16-11-18/h3-5,8-11H,1-2,6-7H2,(H,17,19)
InChIKeyFXJPQTRYAGQUHG-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
CID 47062510
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-imidazol-1-ylphenyl)acetamide
CID 51118112
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide (CID 43697127) is 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide is O=C(CCCCCl)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide?
The InChIKey is FXJPQTRYAGQUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-7-2-1-6-14(19)17-12-4-3-5-13(10-12)18-9-8-16-11-18/h3-5,8-11H,1-2,6-7H2,(H,17,19).
What are the key properties of 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide?
5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide has a molecular weight of 277.75 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide is sourced from PubChem (CID 43697127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).