5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide

C15H13Cl2FN2O — CID 62166687

IUPAC5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-2-19-13-5-3-9(16)7-11(13)15(21)20-14-6-4-10(18)8-12(14)17/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeyDMADEJKTEPGJKB-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.82
Rot. Bonds4

About 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide

5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide (PubChem CID 62166687) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
PubChem CID62166687
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-2-19-13-5-3-9(16)7-11(13)15(21)20-14-6-4-10(18)8-12(14)17/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeyDMADEJKTEPGJKB-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
CID 107531156
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
N-(2-bromo-6-fluorophenyl)-5-chloro-2-(ethylamino)benzamide
CID 107603353
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237149

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide (CID 62166687) is 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide?
The InChIKey is DMADEJKTEPGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-2-19-13-5-3-9(16)7-11(13)15(21)20-14-6-4-10(18)8-12(14)17/h3-8,19H,2H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide?
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide has a molecular weight of 327.19 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 62166687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).