2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide

C15H10Cl3F2NO — CID 125464994

IUPAC2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
SMILESO=C(NCC(F)(F)c1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H10Cl3F2NO/c16-9-5-6-11(13(18)7-9)15(19,20)8-21-14(22)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,21,22)
InChIKeyOQRYPONIJFXCNY-UHFFFAOYSA-N
MW364.61 g/mol
LogP5.17
Rot. Bonds4

About 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide

2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide (PubChem CID 125464994) has the molecular formula C15H10Cl3F2NO and a molecular weight of 364.61 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
PubChem CID125464994
Molecular FormulaC15H10Cl3F2NO
Molecular Weight364.61 g/mol
Exact Mass362.98
IUPAC Name2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
SMILESO=C(NCC(F)(F)c1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H10Cl3F2NO/c16-9-5-6-11(13(18)7-9)15(19,20)8-21-14(22)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,21,22)
InChIKeyOQRYPONIJFXCNY-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide
CID 125465133
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
CID 125465006
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578714
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-[2-[4-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578730
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118025025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide (CID 125464994) is 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide is O=C(NCC(F)(F)c1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide?
The InChIKey is OQRYPONIJFXCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F2NO/c16-9-5-6-11(13(18)7-9)15(19,20)8-21-14(22)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,21,22).
What are the key properties of 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide?
2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide has a molecular weight of 364.61 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide is sourced from PubChem (CID 125464994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).