N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide

C24H28FN3O2 — CID 55772975

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C24H28FN3O2/c1-15(2)18-10-9-16(3)21(14-18)30-17(4)24(29)27-22(23-26-11-12-28(23)5)19-7-6-8-20(25)13-19/h6-15,17,22H,1-5H3,(H,27,29)
InChIKeyCEDSQOVYXZRBLK-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.66
Rot. Bonds7

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide (PubChem CID 55772975) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
PubChem CID55772975
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C24H28FN3O2/c1-15(2)18-10-9-16(3)21(14-18)30-17(4)24(29)27-22(23-26-11-12-28(23)5)19-7-6-8-20(25)13-19/h6-15,17,22H,1-5H3,(H,27,29)
InChIKeyCEDSQOVYXZRBLK-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47046905
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160
(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25358227
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide (CID 55772975) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)cc1OC(C)C(=O)NC(c1cccc(F)c1)c1nccn1C.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The InChIKey is CEDSQOVYXZRBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15(2)18-10-9-16(3)21(14-18)30-17(4)24(29)27-22(23-26-11-12-28(23)5)19-7-6-8-20(25)13-19/h6-15,17,22H,1-5H3,(H,27,29).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide has a molecular weight of 409.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55772975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).