N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide

C17H22ClN3O2 — CID 71917642

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O2/c1-12(2)17-19-8-10-21(17)9-7-16(23)20-11-15(22)13-3-5-14(18)6-4-13/h3-6,8,10,12,15,22H,7,9,11H2,1-2H3,(H,20,23)
InChIKeyHVHDRXQNWJWVGQ-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 71917642) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID71917642
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O2/c1-12(2)17-19-8-10-21(17)9-7-16(23)20-11-15(22)13-3-5-14(18)6-4-13/h3-6,8,10,12,15,22H,7,9,11H2,1-2H3,(H,20,23)
InChIKeyHVHDRXQNWJWVGQ-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
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N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 43198918
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
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5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
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2-(4-chlorophenoxy)-2-methyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
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N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 43793253

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 71917642) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1CCC(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is HVHDRXQNWJWVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-12(2)17-19-8-10-21(17)9-7-16(23)20-11-15(22)13-3-5-14(18)6-4-13/h3-6,8,10,12,15,22H,7,9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 335.84 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 71917642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).