N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide

C20H18ClF2N3O — CID 56679991

IUPACN-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide
SMILESCc1c(Cl)cccc1CNC(=O)Cc1cnc(-c2ccc(F)cc2F)n1C
InChIInChI=1S/C20H18ClF2N3O/c1-12-13(4-3-5-17(12)21)10-24-19(27)9-15-11-25-20(26(15)2)16-7-6-14(22)8-18(16)23/h3-8,11H,9-10H2,1-2H3,(H,24,27)
InChIKeyWRPHYPFMMUAFAX-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.19
Rot. Bonds5

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

N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide (PubChem CID 56679991) has the molecular formula C20H18ClF2N3O and a molecular weight of 389.83 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide
PubChem CID56679991
Molecular FormulaC20H18ClF2N3O
Molecular Weight389.83 g/mol
Exact Mass389.11
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide
SMILESCc1c(Cl)cccc1CNC(=O)Cc1cnc(-c2ccc(F)cc2F)n1C
InChIInChI=1S/C20H18ClF2N3O/c1-12-13(4-3-5-17(12)21)10-24-19(27)9-15-11-25-20(26(15)2)16-7-6-14(22)8-18(16)23/h3-8,11H,9-10H2,1-2H3,(H,24,27)
InChIKeyWRPHYPFMMUAFAX-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide (CID 56679991) is N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide is Cc1c(Cl)cccc1CNC(=O)Cc1cnc(-c2ccc(F)cc2F)n1C.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide?
The InChIKey is WRPHYPFMMUAFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O/c1-12-13(4-3-5-17(12)21)10-24-19(27)9-15-11-25-20(26(15)2)16-7-6-14(22)8-18(16)23/h3-8,11H,9-10H2,1-2H3,(H,24,27).
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide?
N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide has a molecular weight of 389.83 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-methylimidazol-4-yl]acetamide is sourced from PubChem (CID 56679991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).