3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide

C13H18FN3O2 — CID 119582598

IUPAC3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)C(C)CN)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-8(7-15)17(3)13(19)10-4-5-11(14)12(6-10)16-9(2)18/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeyXGBQEZQHCKDGAX-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.20
Rot. Bonds4

About 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide

3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide (PubChem CID 119582598) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide
PubChem CID119582598
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)C(C)CN)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-8(7-15)17(3)13(19)10-4-5-11(14)12(6-10)16-9(2)18/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeyXGBQEZQHCKDGAX-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide
CID 119582618
N-(1-aminopropan-2-yl)-4-fluoro-3-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119582617
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide (CID 119582598) is 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide is CC(=O)Nc1cc(C(=O)N(C)C(C)CN)ccc1F.
What is the InChIKey of 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide?
The InChIKey is XGBQEZQHCKDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(7-15)17(3)13(19)10-4-5-11(14)12(6-10)16-9(2)18/h4-6,8H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide?
3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-aminopropan-2-yl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 119582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).