4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide

C15H13Cl2FN2O — CID 82811257

IUPAC4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H13Cl2FN2O/c1-2-20(11-5-3-10(18)4-6-11)15(21)9-7-12(16)14(19)13(17)8-9/h3-8H,2,19H2,1H3
InChIKeyMQAKIBVBXKOCCH-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.38
Rot. Bonds3

About 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide

4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide (PubChem CID 82811257) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
PubChem CID82811257
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H13Cl2FN2O/c1-2-20(11-5-3-10(18)4-6-11)15(21)9-7-12(16)14(19)13(17)8-9/h3-8H,2,19H2,1H3
InChIKeyMQAKIBVBXKOCCH-UHFFFAOYSA-N
XLogP4.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-ethyl-N-(4-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 51198670
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 60659860
N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
4-amino-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 62160198
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide (CID 82811257) is 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide is CCN(C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide?
The InChIKey is MQAKIBVBXKOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-2-20(11-5-3-10(18)4-6-11)15(21)9-7-12(16)14(19)13(17)8-9/h3-8H,2,19H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide?
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide has a molecular weight of 327.19 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 82811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).