N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide

C16H16F2N2O3 — CID 95629122

IUPACN-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccco1
InChIInChI=1S/C16H16F2N2O3/c17-16(18)23-13-5-2-1-4-12(13)20-8-7-11(10-20)19-15(21)14-6-3-9-22-14/h1-6,9,11,16H,7-8,10H2,(H,19,21)/t11-/m0/s1
InChIKeyAEUSTYPNRJWAOB-NSHDSACASA-N
MW322.31 g/mol
LogP2.89
Rot. Bonds5

About N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide

N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 95629122) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID95629122
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccco1
InChIInChI=1S/C16H16F2N2O3/c17-16(18)23-13-5-2-1-4-12(13)20-8-7-11(10-20)19-15(21)14-6-3-9-22-14/h1-6,9,11,16H,7-8,10H2,(H,19,21)/t11-/m0/s1
InChIKeyAEUSTYPNRJWAOB-NSHDSACASA-N
XLogP2.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 124565166
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 86963309
(1R,2S,4R)-N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124858948
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119882938
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91646113
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86963270
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86963331
7-amino-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]heptanamide;dihydrochloride
CID 119882877
N-[2-[[N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111921921
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136526255
3-[[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002641

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide (CID 95629122) is N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide is O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccco1.
What is the InChIKey of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is AEUSTYPNRJWAOB-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-16(18)23-13-5-2-1-4-12(13)20-8-7-11(10-20)19-15(21)14-6-3-9-22-14/h1-6,9,11,16H,7-8,10H2,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide?
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95629122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).