N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide

C18H13ClFN3O2 — CID 19423455

IUPACN-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1ccnc(Cl)n1
InChIInChI=1S/C18H13ClFN3O2/c19-18-21-10-9-16(23-18)22-17(24)11-12-1-5-14(6-2-12)25-15-7-3-13(20)4-8-15/h1-10H,11H2,(H,21,22,23,24)
InChIKeyFKUHZVOZBIVEDZ-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.24
Rot. Bonds5

About N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide

N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide (PubChem CID 19423455) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
PubChem CID19423455
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1ccnc(Cl)n1
InChIInChI=1S/C18H13ClFN3O2/c19-18-21-10-9-16(23-18)22-17(24)11-12-1-5-14(6-2-12)25-15-7-3-13(20)4-8-15/h1-10H,11H2,(H,21,22,23,24)
InChIKeyFKUHZVOZBIVEDZ-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenoxy)phenyl]-N-(2-methylsulfanylpyrimidin-4-yl)acetamide
CID 19423470
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 67743465
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 25195958
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
1-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]propan-2-one
CID 159435212
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide (CID 19423455) is N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide is O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide?
The InChIKey is FKUHZVOZBIVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-18-21-10-9-16(23-18)22-17(24)11-12-1-5-14(6-2-12)25-15-7-3-13(20)4-8-15/h1-10H,11H2,(H,21,22,23,24).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide?
N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide has a molecular weight of 357.77 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide is sourced from PubChem (CID 19423455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).