4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H14FN3O2 — CID 62680619

IUPAC4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-6(10(16)14-2)15-11(17)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMUCMCICKCYSPBM-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.27
Rot. Bonds3

About 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 62680619) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID62680619
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-6(10(16)14-2)15-11(17)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMUCMCICKCYSPBM-UHFFFAOYSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
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CID 54950307
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
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4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
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CID 81408321

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 62680619) is 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is MUCMCICKCYSPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-6(10(16)14-2)15-11(17)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 239.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 62680619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).