2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide

C14H14FN3O — CID 62662222

IUPAC2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H14FN3O/c1-18(9-10-5-7-17-8-6-10)14(19)11-3-2-4-12(15)13(11)16/h2-8H,9,16H2,1H3
InChIKeyRKVGWIIVXRRCIF-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide

2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 62662222) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID62662222
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H14FN3O/c1-18(9-10-5-7-17-8-6-10)14(19)11-3-2-4-12(15)13(11)16/h2-8H,9,16H2,1H3
InChIKeyRKVGWIIVXRRCIF-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.08
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

2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 103853024
2-amino-3-fluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64518342
2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 62661076
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 62662222) is 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide is CN(Cc1ccncc1)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RKVGWIIVXRRCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(9-10-5-7-17-8-6-10)14(19)11-3-2-4-12(15)13(11)16/h2-8H,9,16H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 62662222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).