1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H24FN3O3 — CID 46563457

IUPAC1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H24FN3O3/c1-22(12-17(24)21-15-6-4-5-14(20)10-15)19(26)13-9-18(25)23(11-13)16-7-2-3-8-16/h4-6,10,13,16H,2-3,7-9,11-12H2,1H3,(H,21,24)
InChIKeySGFDNRBQNVELQG-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.01
Rot. Bonds5

About 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46563457) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46563457
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H24FN3O3/c1-22(12-17(24)21-15-6-4-5-14(20)10-15)19(26)13-9-18(25)23(11-13)16-7-2-3-8-16/h4-6,10,13,16H,2-3,7-9,11-12H2,1H3,(H,21,24)
InChIKeySGFDNRBQNVELQG-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359005
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
(3R)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 9090475
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43066141
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51869964
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
(3R)-6-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9090431
(3S)-N-[2-(4-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8617656
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 46563457) is 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SGFDNRBQNVELQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-22(12-17(24)21-15-6-4-5-14(20)10-15)19(26)13-9-18(25)23(11-13)16-7-2-3-8-16/h4-6,10,13,16H,2-3,7-9,11-12H2,1H3,(H,21,24).
What are the key properties of 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46563457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).