1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

C14H16ClFN2O2 — CID 60706860

IUPAC1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)10-8-9(15)5-6-11(10)16/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyUBMQSQIZUMQZQQ-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.17
Rot. Bonds2

About 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 60706860) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID60706860
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)10-8-9(15)5-6-11(10)16/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyUBMQSQIZUMQZQQ-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 119037219
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126840807
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
1-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42893841

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 60706860) is 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is UBMQSQIZUMQZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)10-8-9(15)5-6-11(10)16/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 298.75 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60706860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).