3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide

C13H19FN2O — CID 54927290

IUPAC3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-4-6-16(5-2)13(17)10-7-11(14)9(3)12(15)8-10/h7-8H,4-6,15H2,1-3H3
InChIKeyLWTGPWGWQJCHKM-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.59
Rot. Bonds4

About 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide

3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide (PubChem CID 54927290) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
PubChem CID54927290
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-4-6-16(5-2)13(17)10-7-11(14)9(3)12(15)8-10/h7-8H,4-6,15H2,1-3H3
InChIKeyLWTGPWGWQJCHKM-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61107685
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
propyl 3-amino-5-fluoro-4-methylbenzoate
CID 61308274
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079
3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide?
The IUPAC name of 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide (CID 54927290) is 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide is CCCN(CC)C(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide?
The InChIKey is LWTGPWGWQJCHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-6-16(5-2)13(17)10-7-11(14)9(3)12(15)8-10/h7-8H,4-6,15H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide?
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 54927290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).