1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide

C15H18ClFN2O2 — CID 46942687

IUPAC1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H18ClFN2O2/c1-3-18-14(21)15(2)6-7-19(9-15)13(20)10-4-5-12(17)11(16)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyYODUYNMZAPUQNQ-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide

1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide (PubChem CID 46942687) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
PubChem CID46942687
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H18ClFN2O2/c1-3-18-14(21)15(2)6-7-19(9-15)13(20)10-4-5-12(17)11(16)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyYODUYNMZAPUQNQ-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzamide derivative 8
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(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
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N-Butyl-3-chlorobenzamide
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1-(3-Chloro-benzoyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 804274
4-chloro-N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]benzamide
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1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
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CID 18135532

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide (CID 46942687) is 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide is CCNC(=O)C1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The InChIKey is YODUYNMZAPUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-3-18-14(21)15(2)6-7-19(9-15)13(20)10-4-5-12(17)11(16)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46942687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).