3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide

C15H14ClFN2O2 — CID 107363411

IUPAC3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-2-21-14-12(4-3-5-13(14)18)15(20)19-11-7-9(16)6-10(17)8-11/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyZZWIFBIWPAQYHU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.71
Rot. Bonds4

About 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide

3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide (PubChem CID 107363411) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide
PubChem CID107363411
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-2-21-14-12(4-3-5-13(14)18)15(20)19-11-7-9(16)6-10(17)8-11/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyZZWIFBIWPAQYHU-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-(3-chloro-5-fluoroanilino)benzoate
CID 107370283
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide
CID 75432259
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide?
The IUPAC name of 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide (CID 107363411) is 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide is CCOc1c(N)cccc1C(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide?
The InChIKey is ZZWIFBIWPAQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-2-21-14-12(4-3-5-13(14)18)15(20)19-11-7-9(16)6-10(17)8-11/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide?
3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide is sourced from PubChem (CID 107363411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).