3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide

C12H18FN3O — CID 82945495

IUPAC3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H18FN3O/c1-8(7-16(2)3)15-12(17)9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyGPPXWQDFEWPVHC-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide

3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide (PubChem CID 82945495) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
PubChem CID82945495
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H18FN3O/c1-8(7-16(2)3)15-12(17)9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyGPPXWQDFEWPVHC-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
CID 125445265
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide (CID 82945495) is 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide is CC(CN(C)C)NC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
The InChIKey is GPPXWQDFEWPVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(7-16(2)3)15-12(17)9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 82945495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).