N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide

C15H13Cl2FN2O — CID 107575712

IUPACN-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-2-19-13-6-4-3-5-10(13)15(21)20-9-7-11(16)14(18)12(17)8-9/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeyJOYQZMABDAEONI-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.82
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide

N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide (PubChem CID 107575712) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide
PubChem CID107575712
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-2-19-13-6-4-3-5-10(13)15(21)20-9-7-11(16)14(18)12(17)8-9/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeyJOYQZMABDAEONI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530
N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide (CID 107575712) is N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide?
The InChIKey is JOYQZMABDAEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-2-19-13-6-4-3-5-10(13)15(21)20-9-7-11(16)14(18)12(17)8-9/h3-8,19H,2H2,1H3,(H,20,21).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide?
N-(3,5-dichloro-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 N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 107575712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).