N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C17H23FN2O — CID 83064741

IUPACN-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(Cc2ccc(F)cc2)C2CC2)CCCN1
InChIInChI=1S/C17H23FN2O/c1-2-17(10-3-11-19-17)16(21)20(15-8-9-15)12-13-4-6-14(18)7-5-13/h4-7,15,19H,2-3,8-12H2,1H3
InChIKeyMMTBKELIOJIRFP-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.85
Rot. Bonds5

About N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 83064741) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID83064741
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(Cc2ccc(F)cc2)C2CC2)CCCN1
InChIInChI=1S/C17H23FN2O/c1-2-17(10-3-11-19-17)16(21)20(15-8-9-15)12-13-4-6-14(18)7-5-13/h4-7,15,19H,2-3,8-12H2,1H3
InChIKeyMMTBKELIOJIRFP-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83072457
N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 83071962
N-cyclopropyl-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83080870
N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 83071967
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopentyl-2-ethyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 83074108
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
3-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 64891551
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 83064741) is N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is CCC1(C(=O)N(Cc2ccc(F)cc2)C2CC2)CCCN1.
What is the InChIKey of N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MMTBKELIOJIRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-17(10-3-11-19-17)16(21)20(15-8-9-15)12-13-4-6-14(18)7-5-13/h4-7,15,19H,2-3,8-12H2,1H3.
What are the key properties of N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83064741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).