2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C12H14ClF2NO2 — CID 107483052

IUPAC2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N(CCO)CC(F)F
InChIInChI=1S/C12H14ClF2NO2/c13-10-3-1-2-9(6-10)7-12(18)16(4-5-17)8-11(14)15/h1-3,6,11,17H,4-5,7-8H2
InChIKeyCSXDLMIGZJSMEZ-UHFFFAOYSA-N
MW277.70 g/mol
LogP1.97
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107483052) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107483052
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N(CCO)CC(F)F
InChIInChI=1S/C12H14ClF2NO2/c13-10-3-1-2-9(6-10)7-12(18)16(4-5-17)8-11(14)15/h1-3,6,11,17H,4-5,7-8H2
InChIKeyCSXDLMIGZJSMEZ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
CID 107491039
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
CID 107481817
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
CID 80656058
5-chloro-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486316
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(3-methylphenyl)propanamide
CID 107490945
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
CID 63398181
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
1-(3-chlorophenyl)propan-2-one
CID 2734097
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107483052) is 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is O=C(Cc1cccc(Cl)c1)N(CCO)CC(F)F.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is CSXDLMIGZJSMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c13-10-3-1-2-9(6-10)7-12(18)16(4-5-17)8-11(14)15/h1-3,6,11,17H,4-5,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 277.70 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107483052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).