3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide

C17H17ClFNO — CID 176632113

IUPAC3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide
SMILESCC(C)(C)c1cccc(-c2cc(C(N)=O)ccc2Cl)c1F
InChIInChI=1S/C17H17ClFNO/c1-17(2,3)13-6-4-5-11(15(13)19)12-9-10(16(20)21)7-8-14(12)18/h4-9H,1-3H3,(H2,20,21)
InChIKeyHOHPPGQBTWMNIK-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.54
Rot. Bonds2

About 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide

3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide (PubChem CID 176632113) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide
PubChem CID176632113
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide
SMILESCC(C)(C)c1cccc(-c2cc(C(N)=O)ccc2Cl)c1F
InChIInChI=1S/C17H17ClFNO/c1-17(2,3)13-6-4-5-11(15(13)19)12-9-10(16(20)21)7-8-14(12)18/h4-9H,1-3H3,(H2,20,21)
InChIKeyHOHPPGQBTWMNIK-UHFFFAOYSA-N
XLogP4.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide
CID 118329322
1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene
CID 118329281
1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
CID 118330416
N-[1-[3-tert-butyl-5-(2-chloro-5-methylsulfonylphenyl)-4-fluorophenyl]ethylsulfonyl]-3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide
CID 129169364
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
3-tert-butyl-4-phenylbenzamide
CID 18779086
tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
CID 170714712
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-[4-(3-tert-butylphenyl)-6-methoxy-1,3,5-triazin-2-yl]-4-chlorobenzamide;1-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 174227597
1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone
CID 118329320
1-[2-chloro-5-(trifluoromethylsulfinyl)phenyl]-2-fluoro-3-methylbenzene
CID 144911819

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide?
The IUPAC name of 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide (CID 176632113) is 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide?
The canonical SMILES for 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide is CC(C)(C)c1cccc(-c2cc(C(N)=O)ccc2Cl)c1F.
What is the InChIKey of 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide?
The InChIKey is HOHPPGQBTWMNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-17(2,3)13-6-4-5-11(15(13)19)12-9-10(16(20)21)7-8-14(12)18/h4-9H,1-3H3,(H2,20,21).
What are the key properties of 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide?
3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide has a molecular weight of 305.78 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide is sourced from PubChem (CID 176632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).