1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide

C21H19F4N3O2 — CID 166342463

IUPAC1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(c1cncc(C(F)(F)F)c1)N1CC(NC(=O)C2(Cc3ccccc3F)CC2)C1
InChIInChI=1S/C21H19F4N3O2/c22-17-4-2-1-3-13(17)8-20(5-6-20)19(30)27-16-11-28(12-16)18(29)14-7-15(10-26-9-14)21(23,24)25/h1-4,7,9-10,16H,5-6,8,11-12H2,(H,27,30)
InChIKeyFRUSOIXTRNOBDZ-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide

1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 166342463) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide
PubChem CID166342463
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(c1cncc(C(F)(F)F)c1)N1CC(NC(=O)C2(Cc3ccccc3F)CC2)C1
InChIInChI=1S/C21H19F4N3O2/c22-17-4-2-1-3-13(17)8-20(5-6-20)19(30)27-16-11-28(12-16)18(29)14-7-15(10-26-9-14)21(23,24)25/h1-4,7,9-10,16H,5-6,8,11-12H2,(H,27,30)
InChIKeyFRUSOIXTRNOBDZ-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109105514
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 169140900
N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581
N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 68729215
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
CID 146302614
4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 110111295
1-[(2-fluorophenyl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 112745350
4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one
CID 110090645

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide (CID 166342463) is 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide is O=C(c1cncc(C(F)(F)F)c1)N1CC(NC(=O)C2(Cc3ccccc3F)CC2)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is FRUSOIXTRNOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c22-17-4-2-1-3-13(17)8-20(5-6-20)19(30)27-16-11-28(12-16)18(29)14-7-15(10-26-9-14)21(23,24)25/h1-4,7,9-10,16H,5-6,8,11-12H2,(H,27,30).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166342463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).