N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide

C18H15ClFN3O — CID 82559472

IUPACN-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccn2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H15ClFN3O/c1-12(24)22-14-5-2-4-13(10-14)18-21-8-9-23(18)11-15-16(19)6-3-7-17(15)20/h2-10H,11H2,1H3,(H,22,24)
InChIKeyCXGXRDKYSPJHFH-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.35
Rot. Bonds4

About N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide

N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide (PubChem CID 82559472) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide
PubChem CID82559472
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccn2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H15ClFN3O/c1-12(24)22-14-5-2-4-13(10-14)18-21-8-9-23(18)11-15-16(19)6-3-7-17(15)20/h2-10H,11H2,1H3,(H,22,24)
InChIKeyCXGXRDKYSPJHFH-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917911
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598223
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331
methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate
CID 82559442
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
CID 119896318
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide (CID 82559472) is N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccn2Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide?
The InChIKey is CXGXRDKYSPJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12(24)22-14-5-2-4-13(10-14)18-21-8-9-23(18)11-15-16(19)6-3-7-17(15)20/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide?
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide has a molecular weight of 343.79 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 82559472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).