N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide

C19H16F3N3O — CID 16675064

IUPACN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCn1ccnc1C(NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F3N3O/c1-25-8-7-23-19(25)18(13-5-6-15(21)16(22)11-13)24-17(26)10-12-3-2-4-14(20)9-12/h2-9,11,18H,10H2,1H3,(H,24,26)
InChIKeyXJZYMOBYBMNLRR-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.29
Rot. Bonds5

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

N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 16675064) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID16675064
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCn1ccnc1C(NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F3N3O/c1-25-8-7-23-19(25)18(13-5-6-15(21)16(22)11-13)24-17(26)10-12-3-2-4-14(20)9-12/h2-9,11,18H,10H2,1H3,(H,24,26)
InChIKeyXJZYMOBYBMNLRR-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
2-(3-fluorophenyl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25389585
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide (CID 16675064) is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide is Cn1ccnc1C(NC(=O)Cc1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is XJZYMOBYBMNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-25-8-7-23-19(25)18(13-5-6-15(21)16(22)11-13)24-17(26)10-12-3-2-4-14(20)9-12/h2-9,11,18H,10H2,1H3,(H,24,26).
What are the key properties of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 359.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 16675064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).