N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide

C17H18F2N2O — CID 112984906

IUPACN-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O/c1-17(2,3)21-13-7-5-12(6-8-13)20-16(22)11-4-9-14(18)15(19)10-11/h4-10,21H,1-3H3,(H,20,22)
InChIKeyPUANJBZARHBNIV-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.43
Rot. Bonds3

About N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide

N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide (PubChem CID 112984906) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
PubChem CID112984906
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O/c1-17(2,3)21-13-7-5-12(6-8-13)20-16(22)11-4-9-14(18)15(19)10-11/h4-10,21H,1-3H3,(H,20,22)
InChIKeyPUANJBZARHBNIV-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide 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

3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
1-N,3-N-bis[4-(tert-butylamino)phenyl]-5-(2,2-dimethylpropanoyl)benzene-1,3-dicarboxamide
CID 159489703
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983258
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide (CID 112984906) is N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide is CC(C)(C)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide?
The InChIKey is PUANJBZARHBNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-17(2,3)21-13-7-5-12(6-8-13)20-16(22)11-4-9-14(18)15(19)10-11/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide?
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide has a molecular weight of 304.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 112984906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).