N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide

C28H22Cl3F3N2O3 — CID 58083409

IUPACN-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide
SMILESCCCC(=O)CN(C(=O)c1ccccc1)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C28H22Cl3F3N2O3/c1-2-6-22(37)16-36(26(38)17-7-4-3-5-8-17)25-11-18(9-10-23(25)31)24-15-27(39-35-24,28(32,33)34)19-12-20(29)14-21(30)13-19/h3-5,7-14H,2,6,15-16H2,1H3
InChIKeyYHHJBWIQPKAVPQ-UHFFFAOYSA-N
MW597.85 g/mol
LogP8.24
Rot. Bonds8

About N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide

N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide (PubChem CID 58083409) has the molecular formula C28H22Cl3F3N2O3 and a molecular weight of 597.85 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide
PubChem CID58083409
Molecular FormulaC28H22Cl3F3N2O3
Molecular Weight597.85 g/mol
Exact Mass596.06
IUPAC NameN-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide
SMILESCCCC(=O)CN(C(=O)c1ccccc1)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C28H22Cl3F3N2O3/c1-2-6-22(37)16-36(26(38)17-7-4-3-5-8-17)25-11-18(9-10-23(25)31)24-15-27(39-35-24,28(32,33)34)19-12-20(29)14-21(30)13-19/h3-5,7-14H,2,6,15-16H2,1H3
InChIKeyYHHJBWIQPKAVPQ-UHFFFAOYSA-N
XLogP8.24
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.85
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide?
The IUPAC name of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide (CID 58083409) is N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide?
The canonical SMILES for N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide is CCCC(=O)CN(C(=O)c1ccccc1)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide?
The InChIKey is YHHJBWIQPKAVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl3F3N2O3/c1-2-6-22(37)16-36(26(38)17-7-4-3-5-8-17)25-11-18(9-10-23(25)31)24-15-27(39-35-24,28(32,33)34)19-12-20(29)14-21(30)13-19/h3-5,7-14H,2,6,15-16H2,1H3.
What are the key properties of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide?
N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide has a molecular weight of 597.85 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopentyl)benzamide is sourced from PubChem (CID 58083409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).