2-chloro-N-(2,2-difluoroethyl)benzamide

C9H8ClF2NO — CID 126785804

IUPAC2-chloro-N-(2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)F)c1ccccc1Cl
InChIInChI=1S/C9H8ClF2NO/c10-7-4-2-1-3-6(7)9(14)13-5-8(11)12/h1-4,8H,5H2,(H,13,14)
InChIKeyFLVXJPKVXQCRIP-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-N-(2,2-difluoroethyl)benzamide

2-chloro-N-(2,2-difluoroethyl)benzamide (PubChem CID 126785804) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)benzamide
PubChem CID126785804
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name2-chloro-N-(2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)F)c1ccccc1Cl
InChIInChI=1S/C9H8ClF2NO/c10-7-4-2-1-3-6(7)9(14)13-5-8(11)12/h1-4,8H,5H2,(H,13,14)
InChIKeyFLVXJPKVXQCRIP-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)benzamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)benzamide (CID 126785804) is 2-chloro-N-(2,2-difluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)benzamide is O=C(NCC(F)F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)benzamide?
The InChIKey is FLVXJPKVXQCRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c10-7-4-2-1-3-6(7)9(14)13-5-8(11)12/h1-4,8H,5H2,(H,13,14).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)benzamide?
2-chloro-N-(2,2-difluoroethyl)benzamide has a molecular weight of 219.62 g/mol, XLogP of 2.33, 3 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-difluoroethyl)benzamide is sourced from PubChem (CID 126785804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).