2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide

C14H16ClN3O — CID 43243129

IUPAC2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
SMILESO=C(NCCCn1ccnc1)C(Cl)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c15-13(12-5-2-1-3-6-12)14(19)17-7-4-9-18-10-8-16-11-18/h1-3,5-6,8,10-11,13H,4,7,9H2,(H,17,19)
InChIKeyIVOHCDVPSDQVHS-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.37
Rot. Bonds6

About 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide

2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide (PubChem CID 43243129) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
PubChem CID43243129
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
SMILESO=C(NCCCn1ccnc1)C(Cl)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c15-13(12-5-2-1-3-6-12)14(19)17-7-4-9-18-10-8-16-11-18/h1-3,5-6,8,10-11,13H,4,7,9H2,(H,17,19)
InChIKeyIVOHCDVPSDQVHS-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.37
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

(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
CID 124507638
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-2-[[(1S)-1-phenylethyl]amino]propyl]urea
CID 95294802
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide (CID 43243129) is 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide is O=C(NCCCn1ccnc1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
The InChIKey is IVOHCDVPSDQVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-13(12-5-2-1-3-6-12)14(19)17-7-4-9-18-10-8-16-11-18/h1-3,5-6,8,10-11,13H,4,7,9H2,(H,17,19).
What are the key properties of 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide?
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide has a molecular weight of 277.76 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide is sourced from PubChem (CID 43243129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).