(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C20H18Cl2FN3O2 — CID 25358227

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H18Cl2FN3O2/c1-12(28-17-8-5-14(21)11-16(17)22)20(27)25-18(19-24-9-10-26(19)2)13-3-6-15(23)7-4-13/h3-12,18H,1-2H3,(H,25,27)/t12-,18-/m1/s1
InChIKeyHXYYVURFGKNUBK-KZULUSFZSA-N
MW422.29 g/mol
LogP4.54
Rot. Bonds6

About (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 25358227) has the molecular formula C20H18Cl2FN3O2 and a molecular weight of 422.29 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID25358227
Molecular FormulaC20H18Cl2FN3O2
Molecular Weight422.29 g/mol
Exact Mass421.08
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H18Cl2FN3O2/c1-12(28-17-8-5-14(21)11-16(17)22)20(27)25-18(19-24-9-10-26(19)2)13-3-6-15(23)7-4-13/h3-12,18H,1-2H3,(H,25,27)/t12-,18-/m1/s1
InChIKeyHXYYVURFGKNUBK-KZULUSFZSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 55772975
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55456727
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
(E)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9247948
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 25358227) is (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is HXYYVURFGKNUBK-KZULUSFZSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2/c1-12(28-17-8-5-14(21)11-16(17)22)20(27)25-18(19-24-9-10-26(19)2)13-3-6-15(23)7-4-13/h3-12,18H,1-2H3,(H,25,27)/t12-,18-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 422.29 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 25358227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).