1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide

C19H20FNO2 — CID 69067345

IUPAC1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(O)c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2F)cc1
InChIInChI=1S/C19H20FNO2/c1-18(2,23)13-5-3-12(4-6-13)15-8-7-14(11-16(15)20)19(9-10-19)17(21)22/h3-8,11,23H,9-10H2,1-2H3,(H2,21,22)
InChIKeyXZPLUYQWJXFGNT-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide

1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 69067345) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID69067345
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(O)c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2F)cc1
InChIInChI=1S/C19H20FNO2/c1-18(2,23)13-5-3-12(4-6-13)15-8-7-14(11-16(15)20)19(9-10-19)17(21)22/h3-8,11,23H,9-10H2,1-2H3,(H2,21,22)
InChIKeyXZPLUYQWJXFGNT-UHFFFAOYSA-N
XLogP3.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide (CID 69067345) is 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide is CC(C)(O)c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is XZPLUYQWJXFGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-18(2,23)13-5-3-12(4-6-13)15-8-7-14(11-16(15)20)19(9-10-19)17(21)22/h3-8,11,23H,9-10H2,1-2H3,(H2,21,22).
What are the key properties of 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide?
1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 69067345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).