2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide

C16H20ClN3O2 — CID 645577

IUPAC2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H20ClN3O2/c1-16(2,22-14-6-4-13(17)5-7-14)15(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyRKTUQGBOSPYZOS-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.90
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide (PubChem CID 645577) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
PubChem CID645577
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H20ClN3O2/c1-16(2,22-14-6-4-13(17)5-7-14)15(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyRKTUQGBOSPYZOS-UHFFFAOYSA-N
XLogP2.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.90
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

Prochloraz
CID 73665
Climbazole
CID 37907
2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
4-(4-chloro-2-methylphenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 3148047
2-(2-fluorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 6500020
2-(4-chlorophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 17579887
4-(2,4-dichlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 2842888
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 6618778
2-(4-Fluoro-phenoxy)-N-(3-imidazol-1-yl-propyl)-acetamide
CID 24793362
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 3979641
N-(3-(1H-imidazol-1-yl)propyl)-2-(2,4-dichlorophenoxy)acetamide hydrochloride
CID 6603441
2-(3,4-dichlorophenoxy)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 51087075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide (CID 645577) is 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
The InChIKey is RKTUQGBOSPYZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-16(2,22-14-6-4-13(17)5-7-14)15(21)19-8-3-10-20-11-9-18-12-20/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide has a molecular weight of 321.81 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide is sourced from PubChem (CID 645577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).