4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide

C16H16F2N2O — CID 63185035

IUPAC4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(F)c(N)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C16H16F2N2O/c1-3-20(12-6-4-10(2)5-7-12)16(21)11-8-13(17)15(19)14(18)9-11/h4-9H,3,19H2,1-2H3
InChIKeyBGHVDEWDKAGKEF-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.52
Rot. Bonds3

About 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide

4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide (PubChem CID 63185035) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
PubChem CID63185035
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(F)c(N)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C16H16F2N2O/c1-3-20(12-6-4-10(2)5-7-12)16(21)11-8-13(17)15(19)14(18)9-11/h4-9H,3,19H2,1-2H3
InChIKeyBGHVDEWDKAGKEF-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

5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide
CID 62002734
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
4-amino-N-ethyl-1,3-dimethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 66123231
4-amino-N-ethyl-1-methyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 62001788
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide (CID 63185035) is 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide is CCN(C(=O)c1cc(F)c(N)c(F)c1)c1ccc(C)cc1.
What is the InChIKey of 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
The InChIKey is BGHVDEWDKAGKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-3-20(12-6-4-10(2)5-7-12)16(21)11-8-13(17)15(19)14(18)9-11/h4-9H,3,19H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
4-amino-N-ethyl-3,5-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 4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 63185035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).