5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide

C16H16ClFN2O — CID 62179424

IUPAC5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1NC)c1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-3-20(13-6-4-5-12(18)10-13)16(21)14-9-11(17)7-8-15(14)19-2/h4-10,19H,3H2,1-2H3
InChIKeyOWIJQUKBHRKELW-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.19
Rot. Bonds4

About 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide

5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide (PubChem CID 62179424) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
PubChem CID62179424
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1NC)c1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-3-20(13-6-4-5-12(18)10-13)16(21)14-9-11(17)7-8-15(14)19-2/h4-10,19H,3H2,1-2H3
InChIKeyOWIJQUKBHRKELW-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylamino)-N-(3-fluorophenyl)-N-methylbenzamide
CID 62173586
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
2,5-dichloro-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107736182
3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62179071
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 107736178
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
4-chloro-2-[(Z)-N-(3-fluoro-N-propan-2-ylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91306521
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide (CID 62179424) is 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide is CCN(C(=O)c1cc(Cl)ccc1NC)c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide?
The InChIKey is OWIJQUKBHRKELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-3-20(13-6-4-5-12(18)10-13)16(21)14-9-11(17)7-8-15(14)19-2/h4-10,19H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide?
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide has a molecular weight of 306.77 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 62179424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).