2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C19H17ClFN3O2 — CID 40953006

IUPAC2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C19H17ClFN3O2/c1-24-10-9-22-19(24)18(13-3-2-4-15(21)11-13)23-17(25)12-26-16-7-5-14(20)6-8-16/h2-11,18H,12H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyVXCLBPJJQVBPFX-GOSISDBHSA-N
MW373.82 g/mol
LogP3.50
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 40953006) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID40953006
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C19H17ClFN3O2/c1-24-10-9-22-19(24)18(13-3-2-4-15(21)11-13)23-17(25)12-26-16-7-5-14(20)6-8-16/h2-11,18H,12H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyVXCLBPJJQVBPFX-GOSISDBHSA-N
XLogP3.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25347963
2-(2-chloro-4-phenylphenoxy)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24625665
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 40953006) is 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is VXCLBPJJQVBPFX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-24-10-9-22-19(24)18(13-3-2-4-15(21)11-13)23-17(25)12-26-16-7-5-14(20)6-8-16/h2-11,18H,12H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 373.82 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 40953006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).