(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide

C17H21F2N3O3 — CID 129366952

IUPAC(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@@H]1C(=O)NC1CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H21F2N3O3/c18-17(19)25-13-7-5-11(6-8-13)20-15(23)10-22-9-1-2-14(22)16(24)21-12-3-4-12/h5-8,12,14,17H,1-4,9-10H2,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyHUJWVERMFRXSOB-CQSZACIVSA-N
MW353.37 g/mol
LogP1.97
Rot. Bonds7

About (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide

(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 129366952) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID129366952
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@@H]1C(=O)NC1CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H21F2N3O3/c18-17(19)25-13-7-5-11(6-8-13)20-15(23)10-22-9-1-2-14(22)16(24)21-12-3-4-12/h5-8,12,14,17H,1-4,9-10H2,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyHUJWVERMFRXSOB-CQSZACIVSA-N
XLogP1.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 126769632
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
(2S)-N-cyclopropyl-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 94588861
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2677187
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
1-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 42884475
N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86924989
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9131152
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 129366952) is (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is O=C(CN1CCC[C@@H]1C(=O)NC1CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is HUJWVERMFRXSOB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c18-17(19)25-13-7-5-11(6-8-13)20-15(23)10-22-9-1-2-14(22)16(24)21-12-3-4-12/h5-8,12,14,17H,1-4,9-10H2,(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129366952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).