N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide

C16H13Cl2F2NO — CID 110445693

IUPACN-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F2NO/c1-16(2,11-5-4-10(17)8-12(11)18)21-15(22)9-3-6-13(19)14(20)7-9/h3-8H,1-2H3,(H,21,22)
InChIKeyTXQUSGIYYULKCF-UHFFFAOYSA-N
MW344.19 g/mol
LogP4.94
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide

N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide (PubChem CID 110445693) has the molecular formula C16H13Cl2F2NO and a molecular weight of 344.19 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
PubChem CID110445693
Molecular FormulaC16H13Cl2F2NO
Molecular Weight344.19 g/mol
Exact Mass343.03
IUPAC NameN-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F2NO/c1-16(2,11-5-4-10(17)8-12(11)18)21-15(22)9-3-6-13(19)14(20)7-9/h3-8H,1-2H3,(H,21,22)
InChIKeyTXQUSGIYYULKCF-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)propan-2-yl]-2-(4-fluorophenyl)acetamide
CID 110440041
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
CID 86948958
N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide
CID 110441759
N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide
CID 110444555
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(3-bromo-2-methylbutan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994285
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
CID 86949396
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
CID 86948895
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 86949000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide (CID 110445693) is N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide is CC(C)(NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide?
The InChIKey is TXQUSGIYYULKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO/c1-16(2,11-5-4-10(17)8-12(11)18)21-15(22)9-3-6-13(19)14(20)7-9/h3-8H,1-2H3,(H,21,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide?
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide has a molecular weight of 344.19 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 110445693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).