4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C12H16FN3O2 — CID 106913755

IUPAC4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H16FN3O2/c1-15-11(17)5-6-16(2)12(18)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyLDFBGRLUIHRVAN-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.62
Rot. Bonds4

About 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913755) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913755
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H16FN3O2/c1-15-11(17)5-6-16(2)12(18)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyLDFBGRLUIHRVAN-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.62
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

4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106915205
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106913755) is 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is LDFBGRLUIHRVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-15-11(17)5-6-16(2)12(18)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 253.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).