3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide

C15H15FN2O2 — CID 82070222

IUPAC3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C15H15FN2O2/c1-18-15(19)11-4-7-14(13(17)8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyKSRXTXPCBFJEKV-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide

3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide (PubChem CID 82070222) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
PubChem CID82070222
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C15H15FN2O2/c1-18-15(19)11-4-7-14(13(17)8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyKSRXTXPCBFJEKV-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 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 ≤ 52.35
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-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-amino-4-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 82999807
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-[(4-fluorophenyl)methoxy]-5-hydroxy-N-methylbenzamide
CID 144990998
3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
CID 82999878
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide (CID 82070222) is 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide is CNC(=O)c1ccc(OCc2ccc(F)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The InChIKey is KSRXTXPCBFJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-18-15(19)11-4-7-14(13(17)8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 82070222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).