2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C20H17FN4O2 — CID 41023714

IUPAC2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2/c1-25-11-10-23-20(25)19(15-4-6-16(21)7-5-15)24-18(26)13-27-17-8-2-14(12-22)3-9-17/h2-11,19H,13H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyHCBFQBRYNWGYAE-IBGZPJMESA-N
MW364.38 g/mol
LogP2.72
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 41023714) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID41023714
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2/c1-25-11-10-23-20(25)19(15-4-6-16(21)7-5-15)24-18(26)13-27-17-8-2-14(12-22)3-9-17/h2-11,19H,13H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyHCBFQBRYNWGYAE-IBGZPJMESA-N
XLogP2.72
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199
2-(4-cyanoanilino)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 134036404
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 41023714) is 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is HCBFQBRYNWGYAE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-25-11-10-23-20(25)19(15-4-6-16(21)7-5-15)24-18(26)13-27-17-8-2-14(12-22)3-9-17/h2-11,19H,13H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 41023714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).