(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide

C18H24FN3O2 — CID 97242091

IUPAC(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-11-5-6-13(10-15(11)19)12(2)20-18(24)22-9-3-4-16(22)17(23)21-14-7-8-14/h5-6,10,12,14,16H,3-4,7-9H2,1-2H3,(H,20,24)(H,21,23)/t12-,16+/m0/s1
InChIKeyNEMNPUUOPGQFFG-BLLLJJGKSA-N
MW333.41 g/mol
LogP2.65
Rot. Bonds4

About (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide

(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 97242091) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID97242091
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-11-5-6-13(10-15(11)19)12(2)20-18(24)22-9-3-4-16(22)17(23)21-14-7-8-14/h5-6,10,12,14,16H,3-4,7-9H2,1-2H3,(H,20,24)(H,21,23)/t12-,16+/m0/s1
InChIKeyNEMNPUUOPGQFFG-BLLLJJGKSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-chlorophenyl)-3,3-dimethylbutyl]-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 166183655
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
4-methyl-3-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 120522342
3-methyl-4-[4-[[(2R)-1-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]cyclohexyl]benzoate
CID 178166857
(2S)-1-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 124591348
(3R)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 124854460
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide (CID 97242091) is (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1F.
What is the InChIKey of (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is NEMNPUUOPGQFFG-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11-5-6-13(10-15(11)19)12(2)20-18(24)22-9-3-4-16(22)17(23)21-14-7-8-14/h5-6,10,12,14,16H,3-4,7-9H2,1-2H3,(H,20,24)(H,21,23)/t12-,16+/m0/s1.
What are the key properties of (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97242091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).