N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide

C18H20FNO — CID 170149203

IUPACN-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(F)c1C(C)(C)C
InChIInChI=1S/C18H20FNO/c1-12-10-11-14(16(19)15(12)18(2,3)4)20-17(21)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,21)
InChIKeyILHQLDHVBGBLMS-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.68
Rot. Bonds2

About N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide

N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide (PubChem CID 170149203) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide
PubChem CID170149203
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(F)c1C(C)(C)C
InChIInChI=1S/C18H20FNO/c1-12-10-11-14(16(19)15(12)18(2,3)4)20-17(21)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,21)
InChIKeyILHQLDHVBGBLMS-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide 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

N-(3-tert-butyl-2-fluoro-4-methylphenyl)but-2-ynamide
CID 170149375
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-[3-benzamido-6-methyl-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 87595404
N-(2,3-difluorophenyl)benzamide
CID 139202270
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
3-benzamido-2,6-difluorobenzamide
CID 152765768
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
N-[4-fluoro-2-(methylamino)phenyl]benzamide
CID 174747297
3-benzamido-N,4-dimethylbenzamide
CID 17226324
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide (CID 170149203) is N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2)c(F)c1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide?
The InChIKey is ILHQLDHVBGBLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-10-11-14(16(19)15(12)18(2,3)4)20-17(21)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide?
N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide has a molecular weight of 285.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 170149203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).