N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide

C16H14ClF2NO — CID 114304849

IUPACN-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(Cl)c1ccccc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NO/c1-10(17)12-4-2-3-5-15(12)20-16(21)9-11-6-7-13(18)14(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyZBRHWLZHLWQIKZ-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.45
Rot. Bonds4

About N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide

N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 114304849) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID114304849
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC NameN-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(Cl)c1ccccc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NO/c1-10(17)12-4-2-3-5-15(12)20-16(21)9-11-6-7-13(18)14(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyZBRHWLZHLWQIKZ-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-chloroethyl)phenyl]-2-(2,4-difluorophenyl)acetamide
CID 114304752
3-chloro-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 82879237
2-(4-fluorophenyl)-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507974
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
N-[2-(1-chloroethyl)phenyl]hexanamide
CID 114304795
N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
CID 114301835
2-(2-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 43508486
3-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036765
N-[2-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16791890
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842
N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114304802

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (CID 114304849) is N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is CC(Cl)c1ccccc1NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is ZBRHWLZHLWQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-10(17)12-4-2-3-5-15(12)20-16(21)9-11-6-7-13(18)14(19)8-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 309.74 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114304849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).