N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

C25H20ClF3N4O2 — CID 58674480

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESCc1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1
InChIInChI=1S/C25H20ClF3N4O2/c1-15-14-31-24(32-15)22-13-19(9-10-30-22)35-18-4-2-3-16(11-18)5-8-23(34)33-17-6-7-21(26)20(12-17)25(27,28)29/h2-4,6-7,9-14H,5,8H2,1H3,(H,31,32)(H,33,34)
InChIKeyORIGSZYHBPJHGA-UHFFFAOYSA-N
MW500.91 g/mol
LogP6.82
Rot. Bonds7

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 58674480) has the molecular formula C25H20ClF3N4O2 and a molecular weight of 500.91 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
PubChem CID58674480
Molecular FormulaC25H20ClF3N4O2
Molecular Weight500.91 g/mol
Exact Mass500.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESCc1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1
InChIInChI=1S/C25H20ClF3N4O2/c1-15-14-31-24(32-15)22-13-19(9-10-30-22)35-18-4-2-3-16(11-18)5-8-23(34)33-17-6-7-21(26)20(12-17)25(27,28)29/h2-4,6-7,9-14H,5,8H2,1H3,(H,31,32)(H,33,34)
InChIKeyORIGSZYHBPJHGA-UHFFFAOYSA-N
XLogP6.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (CID 58674480) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is Cc1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is ORIGSZYHBPJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O2/c1-15-14-31-24(32-15)22-13-19(9-10-30-22)35-18-4-2-3-16(11-18)5-8-23(34)33-17-6-7-21(26)20(12-17)25(27,28)29/h2-4,6-7,9-14H,5,8H2,1H3,(H,31,32)(H,33,34).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 500.91 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 58674480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).