5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide

C16H16F2N2O — CID 62002734

IUPAC5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(N)c(F)cc1F)c1ccc(C)cc1
InChIInChI=1S/C16H16F2N2O/c1-3-20(11-6-4-10(2)5-7-11)16(21)12-8-15(19)14(18)9-13(12)17/h4-9H,3,19H2,1-2H3
InChIKeyARTCOKZFQGEJNH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.52
Rot. Bonds3

About 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide

5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide (PubChem CID 62002734) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide
PubChem CID62002734
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(N)c(F)cc1F)c1ccc(C)cc1
InChIInChI=1S/C16H16F2N2O/c1-3-20(11-6-4-10(2)5-7-11)16(21)12-8-15(19)14(18)9-13(12)17/h4-9H,3,19H2,1-2H3
InChIKeyARTCOKZFQGEJNH-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.52
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

4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338
N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
2-amino-5-chloro-N-ethyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 114922711
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
N-ethyl-3-fluoro-2-hydrazinyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105388008
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
4-amino-N-ethyl-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 62001788
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide?
The IUPAC name of 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide (CID 62002734) is 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide is CCN(C(=O)c1cc(N)c(F)cc1F)c1ccc(C)cc1.
What is the InChIKey of 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide?
The InChIKey is ARTCOKZFQGEJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-3-20(11-6-4-10(2)5-7-11)16(21)12-8-15(19)14(18)9-13(12)17/h4-9H,3,19H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide?
5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide has a molecular weight of 290.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 62002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).