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

C17H14Cl2F3N3O — CID 110208547

IUPAC3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2F3N3O/c18-12-3-1-2-10(6-12)16(26)24-13-4-5-25(9-13)15-14(19)7-11(8-23-15)17(20,21)22/h1-3,6-8,13H,4-5,9H2,(H,24,26)
InChIKeyRUPPHQADPLXVDG-UHFFFAOYSA-N
MW404.22 g/mol
LogP4.42
Rot. Bonds3

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

3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (PubChem CID 110208547) has the molecular formula C17H14Cl2F3N3O and a molecular weight of 404.22 g/mol. Its IUPAC name is 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
PubChem CID110208547
Molecular FormulaC17H14Cl2F3N3O
Molecular Weight404.22 g/mol
Exact Mass403.05
IUPAC Name3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2F3N3O/c18-12-3-1-2-10(6-12)16(26)24-13-4-5-25(9-13)15-14(19)7-11(8-23-15)17(20,21)22/h1-3,6-8,13H,4-5,9H2,(H,24,26)
InChIKeyRUPPHQADPLXVDG-UHFFFAOYSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404
2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide
CID 175146024
3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 27826541
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897223
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
CID 175649491
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 55895494
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 55783271
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 171785759
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
2-bromo-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyridine-3-carboxamide
CID 171785720
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] benzoate
CID 1483732

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (CID 110208547) is 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The InChIKey is RUPPHQADPLXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O/c18-12-3-1-2-10(6-12)16(26)24-13-4-5-25(9-13)15-14(19)7-11(8-23-15)17(20,21)22/h1-3,6-8,13H,4-5,9H2,(H,24,26).
What are the key properties of 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide has a molecular weight of 404.22 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 110208547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).