3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide

C13H18FN3O2 — CID 61103510

IUPAC3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCCC(=O)N(C)C)cc1F
InChIInChI=1S/C13H18FN3O2/c1-8-10(14)6-9(7-11(8)15)13(19)16-5-4-12(18)17(2)3/h6-7H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyIAHAEQCZJDZATA-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.92
Rot. Bonds4

About 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide

3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide (PubChem CID 61103510) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
PubChem CID61103510
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCCC(=O)N(C)C)cc1F
InChIInChI=1S/C13H18FN3O2/c1-8-10(14)6-9(7-11(8)15)13(19)16-5-4-12(18)17(2)3/h6-7H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyIAHAEQCZJDZATA-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115597811
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
3-amino-5-fluoro-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 114187122
3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 61117318
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide (CID 61103510) is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)NCCC(=O)N(C)C)cc1F.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide?
The InChIKey is IAHAEQCZJDZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-10(14)6-9(7-11(8)15)13(19)16-5-4-12(18)17(2)3/h6-7H,4-5,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide?
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide has a molecular weight of 267.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 61103510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).