3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide

C19H21ClFNO — CID 69342585

IUPAC3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CC(C(N)=O)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C19H21ClFNO/c1-19(2,3)13-9-7-12(8-10-13)11-15(18(22)23)14-5-4-6-16(20)17(14)21/h4-10,15H,11H2,1-3H3,(H2,22,23)
InChIKeyPAOOKBXNIPMZRT-UHFFFAOYSA-N
MW333.83 g/mol
LogP4.59
Rot. Bonds4

About 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide

3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide (PubChem CID 69342585) has the molecular formula C19H21ClFNO and a molecular weight of 333.83 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide
PubChem CID69342585
Molecular FormulaC19H21ClFNO
Molecular Weight333.83 g/mol
Exact Mass333.13
IUPAC Name3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide
SMILESCC(C)(C)c1ccc(CC(C(N)=O)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C19H21ClFNO/c1-19(2,3)13-9-7-12(8-10-13)11-15(18(22)23)14-5-4-6-16(20)17(14)21/h4-10,15H,11H2,1-3H3,(H2,22,23)
InChIKeyPAOOKBXNIPMZRT-UHFFFAOYSA-N
XLogP4.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide (CID 69342585) is 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide is CC(C)(C)c1ccc(CC(C(N)=O)c2cccc(Cl)c2F)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide?
The InChIKey is PAOOKBXNIPMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO/c1-19(2,3)13-9-7-12(8-10-13)11-15(18(22)23)14-5-4-6-16(20)17(14)21/h4-10,15H,11H2,1-3H3,(H2,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide?
3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide has a molecular weight of 333.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide is sourced from PubChem (CID 69342585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).