methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate

C14H17FN2O3 — CID 110754462

IUPACmethyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)17-8-4-7-12(17)13(18)16-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18)
InChIKeyLRMNFHCKMVCBLE-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.67
Rot. Bonds3

About methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate

methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110754462) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID110754462
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)17-8-4-7-12(17)13(18)16-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18)
InChIKeyLRMNFHCKMVCBLE-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468858
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110625873
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110754577
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
tert-butyl 2-[(2-bromophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 69248323
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate (CID 110754462) is methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)NCc1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is LRMNFHCKMVCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-14(19)17-8-4-7-12(17)13(18)16-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18).
What are the key properties of methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110754462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).