2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide

C18H15N3O3 — CID 39782296

IUPAC2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(-c2ccc(C(=O)c3ncc[nH]3)cc2)c1
InChIInChI=1S/C18H15N3O3/c19-16(22)11-24-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17(23)18-20-8-9-21-18/h1-10H,11H2,(H2,19,22)(H,20,21)
InChIKeyRITGHFVPNBBHMP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.17
Rot. Bonds6

About 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide

2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide (PubChem CID 39782296) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide
PubChem CID39782296
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(-c2ccc(C(=O)c3ncc[nH]3)cc2)c1
InChIInChI=1S/C18H15N3O3/c19-16(22)11-24-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17(23)18-20-8-9-21-18/h1-10H,11H2,(H2,19,22)(H,20,21)
InChIKeyRITGHFVPNBBHMP-UHFFFAOYSA-N
XLogP2.17
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(pyrimidine-5-carbonyl)phenyl]phenoxy]acetic acid
CID 167941258
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
CID 72874618
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262
2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920903
2-(4-pyrimidin-5-ylphenoxy)acetamide
CID 154238696
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
(2S)-N-methyl-2-[[2-(3-phenylphenoxy)acetyl]amino]butanediamide
CID 58709545
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
CID 54881785

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide (CID 39782296) is 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide is NC(=O)COc1cccc(-c2ccc(C(=O)c3ncc[nH]3)cc2)c1.
What is the InChIKey of 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide?
The InChIKey is RITGHFVPNBBHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c19-16(22)11-24-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17(23)18-20-8-9-21-18/h1-10H,11H2,(H2,19,22)(H,20,21).
What are the key properties of 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide?
2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide has a molecular weight of 321.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1H-imidazole-2-carbonyl)phenyl]phenoxy]acetamide is sourced from PubChem (CID 39782296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).