1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide

C13H18FN3O — CID 103590158

IUPAC1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(C)c(F)cc1N
InChIInChI=1S/C13H18FN3O/c1-8-6-12(10(15)7-9(8)14)17-5-3-4-11(17)13(18)16-2/h6-7,11H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyXVXMLAROKXFINK-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide

1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 103590158) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID103590158
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(C)c(F)cc1N
InChIInChI=1S/C13H18FN3O/c1-8-6-12(10(15)7-9(8)14)17-5-3-4-11(17)13(18)16-2/h6-7,11H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyXVXMLAROKXFINK-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
CID 54986454
1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 63356602
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
1-(2-amino-4-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55215875
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536
5-chloro-2-[2-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 55010109
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726
3-[3-fluoro-4-[2-(methylcarbamoyl)pyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 76910087

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide (CID 103590158) is 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1cc(C)c(F)cc1N.
What is the InChIKey of 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XVXMLAROKXFINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-8-6-12(10(15)7-9(8)14)17-5-3-4-11(17)13(18)16-2/h6-7,11H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide?
1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103590158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).