1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide

C19H18F3NO2 — CID 15942202

IUPAC1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(O)(c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-17(25,19(20,21)22)14-6-2-12(3-7-14)13-4-8-15(9-5-13)18(10-11-18)16(23)24/h2-9,25H,10-11H2,1H3,(H2,23,24)
InChIKeyYKKXSZURSDGJNV-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide

1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 15942202) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID15942202
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(O)(c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-17(25,19(20,21)22)14-6-2-12(3-7-14)13-4-8-15(9-5-13)18(10-11-18)16(23)24/h2-9,25H,10-11H2,1H3,(H2,23,24)
InChIKeyYKKXSZURSDGJNV-UHFFFAOYSA-N
XLogP3.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide (CID 15942202) is 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide is CC(O)(c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is YKKXSZURSDGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-17(25,19(20,21)22)14-6-2-12(3-7-14)13-4-8-15(9-5-13)18(10-11-18)16(23)24/h2-9,25H,10-11H2,1H3,(H2,23,24).
What are the key properties of 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 15942202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).