(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide

C12H14ClFN2O — CID 99825131

IUPAC(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C12H14ClFN2O/c13-10-4-2-1-3-8(10)6-16-12(17)11-5-9(14)7-15-11/h1-4,9,11,15H,5-7H2,(H,16,17)/t9-,11+/m0/s1
InChIKeyPHXFLSFTGFKNRK-GXSJLCMTSA-N
MW256.71 g/mol
LogP1.66
Rot. Bonds3

About (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide

(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 99825131) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID99825131
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C12H14ClFN2O/c13-10-4-2-1-3-8(10)6-16-12(17)11-5-9(14)7-15-11/h1-4,9,11,15H,5-7H2,(H,16,17)/t9-,11+/m0/s1
InChIKeyPHXFLSFTGFKNRK-GXSJLCMTSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide (CID 99825131) is (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is PHXFLSFTGFKNRK-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-4-2-1-3-8(10)6-16-12(17)11-5-9(14)7-15-11/h1-4,9,11,15H,5-7H2,(H,16,17)/t9-,11+/m0/s1.
What are the key properties of (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide?
(2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2-chlorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 99825131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).