N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide

C18H11ClF3N3O2 — CID 4669120

IUPACN-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11ClF3N3O2/c19-14-10-13(5-6-15(14)27-17-23-7-2-8-24-17)25-16(26)11-3-1-4-12(9-11)18(20,21)22/h1-10H,(H,25,26)
InChIKeyCPQNDTLQUDDFSC-UHFFFAOYSA-N
MW393.75 g/mol
LogP5.19
Rot. Bonds4

About N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide

N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 4669120) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID4669120
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC NameN-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11ClF3N3O2/c19-14-10-13(5-6-15(14)27-17-23-7-2-8-24-17)25-16(26)11-3-1-4-12(9-11)18(20,21)22/h1-10H,(H,25,26)
InChIKeyCPQNDTLQUDDFSC-UHFFFAOYSA-N
XLogP5.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.75
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 46846309
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-pyrazolo[1,5-a]pyridin-5-yl-3-(trifluoromethyl)benzamide
CID 86266831
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide (CID 4669120) is N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is CPQNDTLQUDDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c19-14-10-13(5-6-15(14)27-17-23-7-2-8-24-17)25-16(26)11-3-1-4-12(9-11)18(20,21)22/h1-10H,(H,25,26).
What are the key properties of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide?
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 393.75 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4669120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).