3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide

C19H15Cl2F3N2O3 — CID 97215888

IUPAC3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H15Cl2F3N2O3/c20-13-7-12(8-14(21)9-13)16(27)25-15-3-1-11(2-4-15)17(28)26-6-5-18(29,10-26)19(22,23)24/h1-4,7-9,29H,5-6,10H2,(H,25,27)/t18-/m1/s1
InChIKeyWCTWNRPUZKTYDG-GOSISDBHSA-N
MW447.24 g/mol
LogP4.39
Rot. Bonds3

About 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide

3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide (PubChem CID 97215888) has the molecular formula C19H15Cl2F3N2O3 and a molecular weight of 447.24 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
PubChem CID97215888
Molecular FormulaC19H15Cl2F3N2O3
Molecular Weight447.24 g/mol
Exact Mass446.04
IUPAC Name3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H15Cl2F3N2O3/c20-13-7-12(8-14(21)9-13)16(27)25-15-3-1-11(2-4-15)17(28)26-6-5-18(29,10-26)19(22,23)24/h1-4,7-9,29H,5-6,10H2,(H,25,27)/t18-/m1/s1
InChIKeyWCTWNRPUZKTYDG-GOSISDBHSA-N
XLogP4.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
CID 119373556
N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3,5-dichlorobenzamide
CID 119483979
3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
CID 14146500
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3,5-dichloro-N-[4-[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 33282991
3,5-dichloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196698
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 71981899
N-(3,5-dichlorophenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044981
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 86781380

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide (CID 97215888) is 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
The InChIKey is WCTWNRPUZKTYDG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15Cl2F3N2O3/c20-13-7-12(8-14(21)9-13)16(27)25-15-3-1-11(2-4-15)17(28)26-6-5-18(29,10-26)19(22,23)24/h1-4,7-9,29H,5-6,10H2,(H,25,27)/t18-/m1/s1.
What are the key properties of 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide has a molecular weight of 447.24 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 97215888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).