3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide

C17H19FN2O — CID 39387577

IUPAC3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-17(2,3)12-5-7-13(8-6-12)20-16(21)11-4-9-14(18)15(19)10-11/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyLWAHRGOBWDPTJR-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.96
Rot. Bonds2

About 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide

3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide (PubChem CID 39387577) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
PubChem CID39387577
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-17(2,3)12-5-7-13(8-6-12)20-16(21)11-4-9-14(18)15(19)10-11/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyLWAHRGOBWDPTJR-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide (CID 39387577) is 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(F)c(N)c2)cc1.
What is the InChIKey of 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide?
The InChIKey is LWAHRGOBWDPTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-17(2,3)12-5-7-13(8-6-12)20-16(21)11-4-9-14(18)15(19)10-11/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide?
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 39387577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).