3-amino-4-(fluoromethoxy)benzamide

C8H9FN2O2 — CID 90933314

IUPAC3-amino-4-(fluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OCF)c(N)c1
InChIInChI=1S/C8H9FN2O2/c9-4-13-7-2-1-5(8(11)12)3-6(7)10/h1-3H,4,10H2,(H2,11,12)
InChIKeyMMMPWLBPTLFSFB-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.67
Rot. Bonds3

About 3-amino-4-(fluoromethoxy)benzamide

3-amino-4-(fluoromethoxy)benzamide (PubChem CID 90933314) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-amino-4-(fluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(fluoromethoxy)benzamide
PubChem CID90933314
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name3-amino-4-(fluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OCF)c(N)c1
InChIInChI=1S/C8H9FN2O2/c9-4-13-7-2-1-5(8(11)12)3-6(7)10/h1-3H,4,10H2,(H2,11,12)
InChIKeyMMMPWLBPTLFSFB-UHFFFAOYSA-N
XLogP0.67
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.67
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-butoxybenzamide
CID 43448596
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
3-amino-4-(4-ethoxyphenoxy)benzamide
CID 43448507
3-amino-4-naphthalen-1-yloxybenzamide
CID 43448527
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(fluoromethoxy)benzamide?
The IUPAC name of 3-amino-4-(fluoromethoxy)benzamide (CID 90933314) is 3-amino-4-(fluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-4-(fluoromethoxy)benzamide?
The canonical SMILES for 3-amino-4-(fluoromethoxy)benzamide is NC(=O)c1ccc(OCF)c(N)c1.
What is the InChIKey of 3-amino-4-(fluoromethoxy)benzamide?
The InChIKey is MMMPWLBPTLFSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-4-13-7-2-1-5(8(11)12)3-6(7)10/h1-3H,4,10H2,(H2,11,12).
What are the key properties of 3-amino-4-(fluoromethoxy)benzamide?
3-amino-4-(fluoromethoxy)benzamide has a molecular weight of 184.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(fluoromethoxy)benzamide is sourced from PubChem (CID 90933314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).