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N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

C23H24F2N2O3 — CID 112836565

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H24F2N2O3/c1-14-12-19(14)22(28)26-17-5-2-15(3-6-17)23(29)27-10-8-18(9-11-27)30-21-7-4-16(24)13-20(21)25/h2-7,13-14,18-19H,8-12H2,1H3,(H,26,28)
InChIKeyOFUCEZNLVQSVHE-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.24
Rot. Bonds5

About N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 112836565) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID112836565
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H24F2N2O3/c1-14-12-19(14)22(28)26-17-5-2-15(3-6-17)23(29)27-10-8-18(9-11-27)30-21-7-4-16(24)13-20(21)25/h2-7,13-14,18-19H,8-12H2,1H3,(H,26,28)
InChIKeyOFUCEZNLVQSVHE-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 112836565) is N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is OFUCEZNLVQSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c1-14-12-19(14)22(28)26-17-5-2-15(3-6-17)23(29)27-10-8-18(9-11-27)30-21-7-4-16(24)13-20(21)25/h2-7,13-14,18-19H,8-12H2,1H3,(H,26,28).
What are the key properties of N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 112836565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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