2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

C13H17FN2O — CID 55257844

IUPAC2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H17FN2O/c1-8-5-9(8)7-16(2)13(17)11-6-10(14)3-4-12(11)15/h3-4,6,8-9H,5,7,15H2,1-2H3
InChIKeyDZMOXEKEGNJMNK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 55257844) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID55257844
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H17FN2O/c1-8-5-9(8)7-16(2)13(17)11-6-10(14)3-4-12(11)15/h3-4,6,8-9H,5,7,15H2,1-2H3
InChIKeyDZMOXEKEGNJMNK-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63878885
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858718
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63862980
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 55257844) is 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is CC1CC1CN(C)C(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is DZMOXEKEGNJMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-5-9(8)7-16(2)13(17)11-6-10(14)3-4-12(11)15/h3-4,6,8-9H,5,7,15H2,1-2H3.
What are the key properties of 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 236.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 55257844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).