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

C16H13ClF3NO — CID 86948958

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
SMILESCC(C)(NC(=O)c1cccc(F)c1F)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClF3NO/c1-16(2,11-7-6-9(18)8-12(11)17)21-15(22)10-4-3-5-13(19)14(10)20/h3-8H,1-2H3,(H,21,22)
InChIKeyAIHCTXWUXINEQJ-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.42
Rot. Bonds3

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

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide (PubChem CID 86948958) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
PubChem CID86948958
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
SMILESCC(C)(NC(=O)c1cccc(F)c1F)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClF3NO/c1-16(2,11-7-6-9(18)8-12(11)17)21-15(22)10-4-3-5-13(19)14(10)20/h3-8H,1-2H3,(H,21,22)
InChIKeyAIHCTXWUXINEQJ-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(2-fluorophenyl)acetamide
CID 86948842
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 86949000
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
CID 86949396
3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
CID 86948895
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
CID 110445693
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
N-[2-(2,4-dichlorophenyl)propan-2-yl]-2-(4-fluorophenyl)acetamide
CID 110440041
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide
CID 86949913
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,3-difluorobenzamide
CID 114010884
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86949406

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide (CID 86948958) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide is CC(C)(NC(=O)c1cccc(F)c1F)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide?
The InChIKey is AIHCTXWUXINEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-16(2,11-7-6-9(18)8-12(11)17)21-15(22)10-4-3-5-13(19)14(10)20/h3-8H,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide has a molecular weight of 327.73 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide is sourced from PubChem (CID 86948958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).