N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide

C16H19ClF3N3O2 — CID 155949707

IUPACN-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C16H19ClF3N3O2/c1-2-21-13-4-3-10(17)7-12(13)15(25)23-6-5-11(9-23)22-14(24)8-16(18,19)20/h3-4,7,11,21H,2,5-6,8-9H2,1H3,(H,22,24)
InChIKeyMGPBTBLCBPKVNJ-UHFFFAOYSA-N
MW377.79 g/mol
LogP3.05
Rot. Bonds5

About N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide

N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide (PubChem CID 155949707) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
PubChem CID155949707
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC NameN-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C16H19ClF3N3O2/c1-2-21-13-4-3-10(17)7-12(13)15(25)23-6-5-11(9-23)22-14(24)8-16(18,19)20/h3-4,7,11,21H,2,5-6,8-9H2,1H3,(H,22,24)
InChIKeyMGPBTBLCBPKVNJ-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
N-[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 100638288
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
[5-chloro-2-(ethylamino)phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103529939
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide (CID 155949707) is N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide is CCNc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
The InChIKey is MGPBTBLCBPKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c1-2-21-13-4-3-10(17)7-12(13)15(25)23-6-5-11(9-23)22-14(24)8-16(18,19)20/h3-4,7,11,21H,2,5-6,8-9H2,1H3,(H,22,24).
What are the key properties of N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide has a molecular weight of 377.79 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 155949707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).