3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide

C16H17FN2O — CID 43436989

IUPAC3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C16H17FN2O/c1-10(2)11-4-3-5-13(8-11)19-16(20)12-6-7-14(17)15(18)9-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeySNAAOAYKXAHVJK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.78
Rot. Bonds3

About 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide

3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 43436989) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
PubChem CID43436989
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C16H17FN2O/c1-10(2)11-4-3-5-13(8-11)19-16(20)12-6-7-14(17)15(18)9-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeySNAAOAYKXAHVJK-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide (CID 43436989) is 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(F)c(N)c2)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is SNAAOAYKXAHVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10(2)11-4-3-5-13(8-11)19-16(20)12-6-7-14(17)15(18)9-12/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide?
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 43436989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).