N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide

C14H20FN3O2 — CID 158043108

IUPACN,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide
SMILESCN(C)C1CCNC1.NC(=O)c1ccc(F)c(C=O)c1
InChIInChI=1S/C8H6FNO2.C6H14N2/c9-7-2-1-5(8(10)12)3-6(7)4-11;1-8(2)6-3-4-7-5-6/h1-4H,(H2,10,12);6-7H,3-5H2,1-2H3
InChIKeyFIPAIZNPPMWYCZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.65
Rot. Bonds3

About N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide

N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide (PubChem CID 158043108) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide.

Molecular Properties

Compound NameN,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide
PubChem CID158043108
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide
SMILESCN(C)C1CCNC1.NC(=O)c1ccc(F)c(C=O)c1
InChIInChI=1S/C8H6FNO2.C6H14N2/c9-7-2-1-5(8(10)12)3-6(7)4-11;1-8(2)6-3-4-7-5-6/h1-4H,(H2,10,12);6-7H,3-5H2,1-2H3
InChIKeyFIPAIZNPPMWYCZ-UHFFFAOYSA-N
XLogP0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304260
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 122147805
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide?
The IUPAC name of N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide (CID 158043108) is N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide.
What is the SMILES notation for N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide?
The canonical SMILES for N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide is CN(C)C1CCNC1.NC(=O)c1ccc(F)c(C=O)c1.
What is the InChIKey of N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide?
The InChIKey is FIPAIZNPPMWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2.C6H14N2/c9-7-2-1-5(8(10)12)3-6(7)4-11;1-8(2)6-3-4-7-5-6/h1-4H,(H2,10,12);6-7H,3-5H2,1-2H3.
What are the key properties of N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide?
N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide is sourced from PubChem (CID 158043108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).