5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide

C15H23FN2O — CID 103296632

IUPAC5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C15H23FN2O/c1-5-10(3)9-18(6-2)15(19)13-8-12(17)7-11(4)14(13)16/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyMKEFIQKXADEHJN-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.22
Rot. Bonds5

About 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide

5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide (PubChem CID 103296632) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
PubChem CID103296632
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C15H23FN2O/c1-5-10(3)9-18(6-2)15(19)13-8-12(17)7-11(4)14(13)16/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyMKEFIQKXADEHJN-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.22
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

5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103296108
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
5-amino-N-ethyl-2-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 79477889
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide (CID 103296632) is 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(CC)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is MKEFIQKXADEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-10(3)9-18(6-2)15(19)13-8-12(17)7-11(4)14(13)16/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide?
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 266.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 103296632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).