4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide

C12H16FN3O — CID 62975237

IUPAC4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2cc(C(N)=O)ccc2F)C1
InChIInChI=1S/C12H16FN3O/c1-16-5-4-9(7-16)15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyJJWGIJMWRUFRQE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.04
Rot. Bonds3

About 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide

4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide (PubChem CID 62975237) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
PubChem CID62975237
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2cc(C(N)=O)ccc2F)C1
InChIInChI=1S/C12H16FN3O/c1-16-5-4-9(7-16)15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyJJWGIJMWRUFRQE-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975050
3-fluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzenecarbothioamide
CID 54949542
4-fluoro-3-(thiolan-3-ylamino)benzamide
CID 43700954
3-methyl-4-[(1-methylpyrrolidin-3-yl)amino]benzoic acid
CID 62711351
4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817334
benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
CID 114280143
N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 62976143
2,3-difluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzoic acid
CID 79837986
4-fluoro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 82852777
3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 61462092
2,3-difluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzenecarbothioamide
CID 107934668
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide (CID 62975237) is 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide is CN1CCC(Nc2cc(C(N)=O)ccc2F)C1.
What is the InChIKey of 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
The InChIKey is JJWGIJMWRUFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16-5-4-9(7-16)15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide has a molecular weight of 237.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 62975237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).