(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide

C15H20F2N2O — CID 100642737

IUPAC(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1
InChIInChI=1S/C15H20F2N2O/c1-10(19-15(20)14-3-2-8-18-14)4-5-11-6-7-12(16)13(17)9-11/h6-7,9-10,14,18H,2-5,8H2,1H3,(H,19,20)/t10-,14-/m1/s1
InChIKeyLVJWSSMLZKJTOS-QMTHXVAHSA-N
MW282.33 g/mol
LogP2.15
Rot. Bonds5

About (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide

(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 100642737) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
PubChem CID100642737
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1
InChIInChI=1S/C15H20F2N2O/c1-10(19-15(20)14-3-2-8-18-14)4-5-11-6-7-12(16)13(17)9-11/h6-7,9-10,14,18H,2-5,8H2,1H3,(H,19,20)/t10-,14-/m1/s1
InChIKeyLVJWSSMLZKJTOS-QMTHXVAHSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2S)-N-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 99852704
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 98852154
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide (CID 100642737) is (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide is C[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is LVJWSSMLZKJTOS-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(19-15(20)14-3-2-8-18-14)4-5-11-6-7-12(16)13(17)9-11/h6-7,9-10,14,18H,2-5,8H2,1H3,(H,19,20)/t10-,14-/m1/s1.
What are the key properties of (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100642737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).