2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

C14H12ClFN2O2 — CID 167890403

IUPAC2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)C(F)Cl)Nc1cccc2ccccc12
InChIInChI=1S/C14H12ClFN2O2/c15-13(16)14(20)17-8-12(19)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,17,20)(H,18,19)
InChIKeyOYICBBSIRJXGIO-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (PubChem CID 167890403) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
PubChem CID167890403
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)C(F)Cl)Nc1cccc2ccccc12
InChIInChI=1S/C14H12ClFN2O2/c15-13(16)14(20)17-8-12(19)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,17,20)(H,18,19)
InChIKeyOYICBBSIRJXGIO-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
CID 119767808
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767
N-(2,5-dichlorophenyl)-2-(naphthalen-1-ylcarbamoylamino)acetamide
CID 24616453
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (CID 167890403) is 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is O=C(CNC(=O)C(F)Cl)Nc1cccc2ccccc12.
What is the InChIKey of 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The InChIKey is OYICBBSIRJXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-13(16)14(20)17-8-12(19)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide has a molecular weight of 294.71 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 167890403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).