2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide

C15H18ClN3O2 — CID 99961287

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ncc(C)[nH]1
InChIInChI=1S/C15H18ClN3O2/c1-3-12(15-17-8-9(2)18-15)19-14(21)7-10-4-5-13(20)11(16)6-10/h4-6,8,12,20H,3,7H2,1-2H3,(H,17,18)(H,19,21)/t12-/m1/s1
InChIKeyPRYQFRFRNPNJPI-GFCCVEGCSA-N
MW307.78 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide

2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide (PubChem CID 99961287) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
PubChem CID99961287
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ncc(C)[nH]1
InChIInChI=1S/C15H18ClN3O2/c1-3-12(15-17-8-9(2)18-15)19-14(21)7-10-4-5-13(20)11(16)6-10/h4-6,8,12,20H,3,7H2,1-2H3,(H,17,18)(H,19,21)/t12-/m1/s1
InChIKeyPRYQFRFRNPNJPI-GFCCVEGCSA-N
XLogP2.89
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide (CID 99961287) is 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide is CC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ncc(C)[nH]1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide?
The InChIKey is PRYQFRFRNPNJPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-12(15-17-8-9(2)18-15)19-14(21)7-10-4-5-13(20)11(16)6-10/h4-6,8,12,20H,3,7H2,1-2H3,(H,17,18)(H,19,21)/t12-/m1/s1.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 99961287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).