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

C14H12ClFN2O2 — CID 107526613

IUPAC3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H12ClFN2O2/c1-20-11-5-8(4-10(17)7-11)14(19)18-13-6-9(16)2-3-12(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyGBVVTSMYNHICNB-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

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

3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide (PubChem CID 107526613) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
PubChem CID107526613
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H12ClFN2O2/c1-20-11-5-8(4-10(17)7-11)14(19)18-13-6-9(16)2-3-12(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyGBVVTSMYNHICNB-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.32
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

3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
3-amino-N-(2,5-difluorophenyl)-5-methoxybenzamide
CID 78985193
3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 78985049
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide (CID 107526613) is 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2cc(F)ccc2Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide?
The InChIKey is GBVVTSMYNHICNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-11-5-8(4-10(17)7-11)14(19)18-13-6-9(16)2-3-12(13)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide?
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide has a molecular weight of 294.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 107526613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).