3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide

C19H19BrF3N3O — CID 121142698

IUPAC3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H19BrF3N3O/c20-15-5-1-13(2-6-15)3-8-18(27)25-16-9-10-26(12-16)17-7-4-14(11-24-17)19(21,22)23/h1-2,4-7,11,16H,3,8-10,12H2,(H,25,27)
InChIKeyOZCZIOGBLPMYPU-UHFFFAOYSA-N
MW442.28 g/mol
LogP4.19
Rot. Bonds5

About 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide

3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide (PubChem CID 121142698) has the molecular formula C19H19BrF3N3O and a molecular weight of 442.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
PubChem CID121142698
Molecular FormulaC19H19BrF3N3O
Molecular Weight442.28 g/mol
Exact Mass441.07
IUPAC Name3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H19BrF3N3O/c20-15-5-1-13(2-6-15)3-8-18(27)25-16-9-10-26(12-16)17-7-4-14(11-24-17)19(21,22)23/h1-2,4-7,11,16H,3,8-10,12H2,(H,25,27)
InChIKeyOZCZIOGBLPMYPU-UHFFFAOYSA-N
XLogP4.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142717
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
2-(4-propan-2-ylsulfanylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142641
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
CID 92671563
3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142673
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide (CID 121142698) is 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide is O=C(CCc1ccc(Br)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The InChIKey is OZCZIOGBLPMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N3O/c20-15-5-1-13(2-6-15)3-8-18(27)25-16-9-10-26(12-16)17-7-4-14(11-24-17)19(21,22)23/h1-2,4-7,11,16H,3,8-10,12H2,(H,25,27).
What are the key properties of 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide has a molecular weight of 442.28 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 121142698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).