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

C13H14ClFN2O2 — CID 91784718

IUPAC1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H14ClFN2O2/c1-16-12(18)9-4-5-17(7-9)13(19)8-2-3-11(15)10(14)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,16,18)
InChIKeyXUISPYYHWYCXOP-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.69
Rot. Bonds2

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

1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 91784718) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID91784718
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H14ClFN2O2/c1-16-12(18)9-4-5-17(7-9)13(19)8-2-3-11(15)10(14)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,16,18)
InChIKeyXUISPYYHWYCXOP-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82880080
1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
CID 103734766
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
2-[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]acetic acid
CID 82875827
(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82879192
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91795304
(3S,4S)-1-(3-chloro-4-fluorobenzoyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203605
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide (CID 91784718) is 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is XUISPYYHWYCXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-16-12(18)9-4-5-17(7-9)13(19)8-2-3-11(15)10(14)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,16,18).
What are the key properties of 1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 284.72 g/mol, XLogP of 1.69, 2 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-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91784718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).