4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide

C17H19FN2O — CID 79046684

IUPAC4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2cc(C)cc(F)c2)cc1C
InChIInChI=1S/C17H19FN2O/c1-4-19-16-6-5-13(9-12(16)3)17(21)20-15-8-11(2)7-14(18)10-15/h5-10,19H,4H2,1-3H3,(H,20,21)
InChIKeyYQFLPNHRNAPNNH-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.13
Rot. Bonds4

About 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide

4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide (PubChem CID 79046684) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
PubChem CID79046684
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)Nc2cc(C)cc(F)c2)cc1C
InChIInChI=1S/C17H19FN2O/c1-4-19-16-6-5-13(9-12(16)3)17(21)20-15-8-11(2)7-14(18)10-15/h5-10,19H,4H2,1-3H3,(H,20,21)
InChIKeyYQFLPNHRNAPNNH-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-4-(ethylamino)-3-methylbenzamide
CID 63501283
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
CID 63209394
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide?
The IUPAC name of 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide (CID 79046684) is 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide is CCNc1ccc(C(=O)Nc2cc(C)cc(F)c2)cc1C.
What is the InChIKey of 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide?
The InChIKey is YQFLPNHRNAPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-4-19-16-6-5-13(9-12(16)3)17(21)20-15-8-11(2)7-14(18)10-15/h5-10,19H,4H2,1-3H3,(H,20,21).
What are the key properties of 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide?
4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 79046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).