3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide

C17H19FN2O — CID 43735719

IUPAC3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCCc1ccc(CNc2cc(C(N)=O)cc(F)c2C)cc1
InChIInChI=1S/C17H19FN2O/c1-3-12-4-6-13(7-5-12)10-20-16-9-14(17(19)21)8-15(18)11(16)2/h4-9,20H,3,10H2,1-2H3,(H2,19,21)
InChIKeyJSQRXEVUNITTQZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.41
Rot. Bonds5

About 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide

3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 43735719) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID43735719
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCCc1ccc(CNc2cc(C(N)=O)cc(F)c2C)cc1
InChIInChI=1S/C17H19FN2O/c1-3-12-4-6-13(7-5-12)10-20-16-9-14(17(19)21)8-15(18)11(16)2/h4-9,20H,3,10H2,1-2H3,(H2,19,21)
InChIKeyJSQRXEVUNITTQZ-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 106936269
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide (CID 43735719) is 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide is CCc1ccc(CNc2cc(C(N)=O)cc(F)c2C)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is JSQRXEVUNITTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-12-4-6-13(7-5-12)10-20-16-9-14(17(19)21)8-15(18)11(16)2/h4-9,20H,3,10H2,1-2H3,(H2,19,21).
What are the key properties of 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 43735719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).