2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

C18H16ClF4N3O — CID 146302661

IUPAC2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cc(F)cc(Cl)c1)NC1CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H16ClF4N3O/c19-13-3-11(4-14(20)7-13)5-17(27)25-15-1-2-26(10-15)16-6-12(8-24-9-16)18(21,22)23/h3-4,6-9,15H,1-2,5,10H2,(H,25,27)
InChIKeyGFDAZZJDQIASOM-UHFFFAOYSA-N
MW401.79 g/mol
LogP3.83
Rot. Bonds4

About 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302661) has the molecular formula C18H16ClF4N3O and a molecular weight of 401.79 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID146302661
Molecular FormulaC18H16ClF4N3O
Molecular Weight401.79 g/mol
Exact Mass401.09
IUPAC Name2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cc(F)cc(Cl)c1)NC1CCN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H16ClF4N3O/c19-13-3-11(4-14(20)7-13)5-17(27)25-15-1-2-26(10-15)16-6-12(8-24-9-16)18(21,22)23/h3-4,6-9,15H,1-2,5,10H2,(H,25,27)
InChIKeyGFDAZZJDQIASOM-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302811
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302608
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302646
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
CID 146302614
2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302548
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 153395147
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 146302777
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302661) is 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is O=C(Cc1cc(F)cc(Cl)c1)NC1CCN(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GFDAZZJDQIASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N3O/c19-13-3-11(4-14(20)7-13)5-17(27)25-15-1-2-26(10-15)16-6-12(8-24-9-16)18(21,22)23/h3-4,6-9,15H,1-2,5,10H2,(H,25,27).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 401.79 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).