4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide

C13H17FN2O — CID 62862148

IUPAC4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-16(8-9-3-2-4-9)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyRZAPAGHDSYUDCS-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds3

About 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide

4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide (PubChem CID 62862148) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
PubChem CID62862148
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-16(8-9-3-2-4-9)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyRZAPAGHDSYUDCS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
CID 79773242
N-(cyclopentylmethyl)-3,5-difluoro-4-hydrazinyl-N-methylbenzamide
CID 63656584
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600
N-(cyclobutylmethyl)-N,4-dimethyl-3-sulfamoylbenzamide
CID 65387895
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide (CID 62862148) is 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide is CN(CC1CCC1)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide?
The InChIKey is RZAPAGHDSYUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(8-9-3-2-4-9)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,2-4,8,15H2,1H3.
What are the key properties of 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide?
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 62862148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).