4-amino-3,5-difluoro-N-pentan-3-ylbenzamide

C12H16F2N2O — CID 63187133

IUPAC4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-3-8(4-2)16-12(17)7-5-9(13)11(15)10(14)6-7/h5-6,8H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyKSRGXWFPXHLYDA-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide

4-amino-3,5-difluoro-N-pentan-3-ylbenzamide (PubChem CID 63187133) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
PubChem CID63187133
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-3-8(4-2)16-12(17)7-5-9(13)11(15)10(14)6-7/h5-6,8H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyKSRGXWFPXHLYDA-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
N-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 63185587
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856
N-(1-cyanobutan-2-yl)-3,4,5-trifluorobenzamide
CID 63185622
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
3-fluoro-2-methoxy-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372773
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide (CID 63187133) is 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide?
The InChIKey is KSRGXWFPXHLYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-8(4-2)16-12(17)7-5-9(13)11(15)10(14)6-7/h5-6,8H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide?
4-amino-3,5-difluoro-N-pentan-3-ylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-pentan-3-ylbenzamide is sourced from PubChem (CID 63187133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).