2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide

C20H25F3N2O2 — CID 53339568

IUPAC2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1COCC[C@H]1N1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)14-5-6-15(16(11-14)13-3-4-13)19(26)24-17-12-27-10-7-18(17)25-8-1-2-9-25/h5-6,11,13,17-18H,1-4,7-10,12H2,(H,24,26)/t17-,18-/m1/s1
InChIKeyOJYSFPGDNXYECI-QZTJIDSGSA-N
MW382.43 g/mol
LogP3.57
Rot. Bonds4

About 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide

2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 53339568) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID53339568
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(N[C@@H]1COCC[C@H]1N1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)14-5-6-15(16(11-14)13-3-4-13)19(26)24-17-12-27-10-7-18(17)25-8-1-2-9-25/h5-6,11,13,17-18H,1-4,7-10,12H2,(H,24,26)/t17-,18-/m1/s1
InChIKeyOJYSFPGDNXYECI-QZTJIDSGSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide (CID 53339568) is 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide is O=C(N[C@@H]1COCC[C@H]1N1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is OJYSFPGDNXYECI-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c21-20(22,23)14-5-6-15(16(11-14)13-3-4-13)19(26)24-17-12-27-10-7-18(17)25-8-1-2-9-25/h5-6,11,13,17-18H,1-4,7-10,12H2,(H,24,26)/t17-,18-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 382.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 53339568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).