4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide

C14H12F2N2O2 — CID 104782496

IUPAC4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(F)c2F)ccc1N
InChIInChI=1S/C14H12F2N2O2/c1-20-12-7-8(5-6-10(12)17)14(19)18-11-4-2-3-9(15)13(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyKHGHLNNJTWPQMF-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.81
Rot. Bonds3

About 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide

4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide (PubChem CID 104782496) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
PubChem CID104782496
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(F)c2F)ccc1N
InChIInChI=1S/C14H12F2N2O2/c1-20-12-7-8(5-6-10(12)17)14(19)18-11-4-2-3-9(15)13(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyKHGHLNNJTWPQMF-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.81
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

4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
2-amino-N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 62161331
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide (CID 104782496) is 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2cccc(F)c2F)ccc1N.
What is the InChIKey of 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide?
The InChIKey is KHGHLNNJTWPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-20-12-7-8(5-6-10(12)17)14(19)18-11-4-2-3-9(15)13(11)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide?
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide has a molecular weight of 278.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide is sourced from PubChem (CID 104782496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).