1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

C14H18FN3O2 — CID 43575377

IUPAC1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C14H18FN3O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyNSXBMXGAZMRMQY-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43575377) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43575377
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C14H18FN3O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyNSXBMXGAZMRMQY-UHFFFAOYSA-N
XLogP1.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
(2R)-1-(4-amino-3-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 78925672
1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60710234
1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 78949483
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 43575377) is 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is NSXBMXGAZMRMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43575377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).