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

C24H18ClF3N4O2 — CID 58674315

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N4O2/c25-20-6-5-16(13-19(20)24(26,27)28)32-22(33)7-4-15-2-1-3-17(12-15)34-18-8-9-29-21(14-18)23-30-10-11-31-23/h1-3,5-6,8-14H,4,7H2,(H,30,31)(H,32,33)
InChIKeyVFTQTVZIYPVUFI-UHFFFAOYSA-N
MW486.88 g/mol
LogP6.51
Rot. Bonds7

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 58674315) has the molecular formula C24H18ClF3N4O2 and a molecular weight of 486.88 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
PubChem CID58674315
Molecular FormulaC24H18ClF3N4O2
Molecular Weight486.88 g/mol
Exact Mass486.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N4O2/c25-20-6-5-16(13-19(20)24(26,27)28)32-22(33)7-4-15-2-1-3-17(12-15)34-18-8-9-29-21(14-18)23-30-10-11-31-23/h1-3,5-6,8-14H,4,7H2,(H,30,31)(H,32,33)
InChIKeyVFTQTVZIYPVUFI-UHFFFAOYSA-N
XLogP6.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 56.51
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-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (CID 58674315) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is O=C(CCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is VFTQTVZIYPVUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O2/c25-20-6-5-16(13-19(20)24(26,27)28)32-22(33)7-4-15-2-1-3-17(12-15)34-18-8-9-29-21(14-18)23-30-10-11-31-23/h1-3,5-6,8-14H,4,7H2,(H,30,31)(H,32,33).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 486.88 g/mol, XLogP of 6.51, 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-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 58674315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).