2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide

C16H17FN2O2 — CID 63109637

IUPAC2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C16H17FN2O2/c1-10(2)21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyLGOJOAKEQXOHPT-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide

2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 63109637) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID63109637
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C16H17FN2O2/c1-10(2)21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyLGOJOAKEQXOHPT-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.45
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

2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
4-amino-6-methyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81238735
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide (CID 63109637) is 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is LGOJOAKEQXOHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(2)21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 288.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 63109637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).