1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C16H20F2N2O3 — CID 86997540

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H20F2N2O3/c1-10(2)19-14(21)12-7-5-9-20(12)15(22)11-6-3-4-8-13(11)23-16(17)18/h3-4,6,8,10,12,16H,5,7,9H2,1-2H3,(H,19,21)
InChIKeyRVLIMIPEKBUSNC-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 86997540) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID86997540
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H20F2N2O3/c1-10(2)19-14(21)12-7-5-9-20(12)15(22)11-6-3-4-8-13(11)23-16(17)18/h3-4,6,8,10,12,16H,5,7,9H2,1-2H3,(H,19,21)
InChIKeyRVLIMIPEKBUSNC-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 120507145
1-[2-(difluoromethoxy)benzoyl]-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 120830326
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119477060
1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 120575970
N-(3-cyclopentylpropyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 78883609
[1-[2-(difluoromethoxy)benzoyl]pyrrolidin-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 138995269
1-[2-(difluoromethoxy)benzoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 112830739
1-[2-(difluoromethoxy)benzoyl]-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 112845554
1-[2-(difluoromethoxy)benzoyl]-N-[2-(1H-indol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 138999726
1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167880
1-[2-(difluoromethoxy)benzoyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 138992339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 86997540) is 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCCN1C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RVLIMIPEKBUSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-10(2)19-14(21)12-7-5-9-20(12)15(22)11-6-3-4-8-13(11)23-16(17)18/h3-4,6,8,10,12,16H,5,7,9H2,1-2H3,(H,19,21).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 86997540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).