2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

C15H18ClN3O2 — CID 2933364

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C15H18ClN3O2/c1-12-9-13(16)3-4-14(12)21-10-15(20)18-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,18,20)
InChIKeyRHSULEQRSSMLJW-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.43
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 2933364) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID2933364
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C15H18ClN3O2/c1-12-9-13(16)3-4-14(12)21-10-15(20)18-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,18,20)
InChIKeyRHSULEQRSSMLJW-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.43
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

2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
1-[2-(2-allyl-4-chlorophenoxy)ethyl]-1H-imidazole oxalate
CID 2923479
4-(4-chloro-2-methylphenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 3148047
N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4885534
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]-2-methylpropanamide
CID 645577
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 6618778
(6R,9R,12S)-6-[(3-chlorophenyl)methyl]-12-(imidazol-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 25114976
2-(4-Fluoro-phenoxy)-N-(3-imidazol-1-yl-propyl)-acetamide
CID 24793362
1-[3-(2-allyl-4-chlorophenoxy)propyl]-1H-imidazole oxalate
CID 2923700
2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 4911153
2-[(6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 4973910
N-(3-(1H-imidazol-1-yl)propyl)-2-(2,4-dichlorophenoxy)acetamide hydrochloride
CID 6603441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (CID 2933364) is 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is RHSULEQRSSMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-12-9-13(16)3-4-14(12)21-10-15(20)18-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 2933364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).