5-amino-2-(4-fluoro-3-methoxyanilino)benzamide

C14H14FN3O2 — CID 114840634

IUPAC5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
SMILESCOc1cc(Nc2ccc(N)cc2C(N)=O)ccc1F
InChIInChI=1S/C14H14FN3O2/c1-20-13-7-9(3-4-11(13)15)18-12-5-2-8(16)6-10(12)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyRMZKODLIJJILJJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.26
Rot. Bonds4

About 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide

5-amino-2-(4-fluoro-3-methoxyanilino)benzamide (PubChem CID 114840634) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
PubChem CID114840634
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
SMILESCOc1cc(Nc2ccc(N)cc2C(N)=O)ccc1F
InChIInChI=1S/C14H14FN3O2/c1-20-13-7-9(3-4-11(13)15)18-12-5-2-8(16)6-10(12)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyRMZKODLIJJILJJ-UHFFFAOYSA-N
XLogP2.26
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide
CID 107622922
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
4-bromo-2-(4-fluoro-3-methoxyanilino)benzenecarbothioamide
CID 114903572
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide?
The IUPAC name of 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide (CID 114840634) is 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide.
What is the SMILES notation for 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide?
The canonical SMILES for 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide is COc1cc(Nc2ccc(N)cc2C(N)=O)ccc1F.
What is the InChIKey of 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide?
The InChIKey is RMZKODLIJJILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-13-7-9(3-4-11(13)15)18-12-5-2-8(16)6-10(12)14(17)19/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide?
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide has a molecular weight of 275.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-fluoro-3-methoxyanilino)benzamide is sourced from PubChem (CID 114840634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).