4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide

C15H15FN2O2 — CID 106955505

IUPAC4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
SMILESCc1cc(F)ccc1COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C15H15FN2O2/c1-9-6-11(16)3-2-10(9)8-20-14-7-12(17)4-5-13(14)15(18)19/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyNNJRGRSEQLJBKA-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.39
Rot. Bonds4

About 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide

4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide (PubChem CID 106955505) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
PubChem CID106955505
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
SMILESCc1cc(F)ccc1COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C15H15FN2O2/c1-9-6-11(16)3-2-10(9)8-20-14-7-12(17)4-5-13(14)15(18)19/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyNNJRGRSEQLJBKA-UHFFFAOYSA-N
XLogP2.39
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.39
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-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
5-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 114345639
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
CID 114482179
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114346121
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide?
The IUPAC name of 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide (CID 106955505) is 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide?
The canonical SMILES for 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide is Cc1cc(F)ccc1COc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide?
The InChIKey is NNJRGRSEQLJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-6-11(16)3-2-10(9)8-20-14-7-12(17)4-5-13(14)15(18)19/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide?
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 106955505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).