(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C22H25FN2O2 — CID 99930222

IUPAC(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@]1(C(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c1-21(2)15-22(21,17-8-10-18(23)11-9-17)20(27)25(13-12-19(24)26)14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H2,24,26)/t22-/m1/s1
InChIKeyORHOXCNOHIGWMO-JOCHJYFZSA-N
MW368.45 g/mol
LogP3.40
Rot. Bonds7

About (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 99930222) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID99930222
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@]1(C(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O2/c1-21(2)15-22(21,17-8-10-18(23)11-9-17)20(27)25(13-12-19(24)26)14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H2,24,26)/t22-/m1/s1
InChIKeyORHOXCNOHIGWMO-JOCHJYFZSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 99930222) is (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@]1(C(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ORHOXCNOHIGWMO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-21(2)15-22(21,17-8-10-18(23)11-9-17)20(27)25(13-12-19(24)26)14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H2,24,26)/t22-/m1/s1.
What are the key properties of (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 99930222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).