2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide

C16H14ClF3N2O — CID 142661719

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
SMILESNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C16H14ClF3N2O/c17-12-6-7-13(15(18)11(12)8-14(21)23)22-9-16(19,20)10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H2,21,23)
InChIKeyKCHKBWDOHTZPIH-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.71
Rot. Bonds6

About 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide

2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide (PubChem CID 142661719) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
PubChem CID142661719
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
SMILESNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C16H14ClF3N2O/c17-12-6-7-13(15(18)11(12)8-14(21)23)22-9-16(19,20)10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H2,21,23)
InChIKeyKCHKBWDOHTZPIH-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide (CID 142661719) is 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide is NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
The InChIKey is KCHKBWDOHTZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-12-6-7-13(15(18)11(12)8-14(21)23)22-9-16(19,20)10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H2,21,23).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide has a molecular weight of 342.75 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 142661719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).