N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide

C11H10ClF2NO2 — CID 103516222

IUPACN-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide
SMILESO=C(CCl)CN(C(=O)C(F)F)c1ccccc1
InChIInChI=1S/C11H10ClF2NO2/c12-6-9(16)7-15(11(17)10(13)14)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNJMAZYHHUDLXGG-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.09
Rot. Bonds5

About N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide

N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide (PubChem CID 103516222) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide
PubChem CID103516222
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC NameN-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide
SMILESO=C(CCl)CN(C(=O)C(F)F)c1ccccc1
InChIInChI=1S/C11H10ClF2NO2/c12-6-9(16)7-15(11(17)10(13)14)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNJMAZYHHUDLXGG-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
N-acetyl-2,2-difluoro-N-phenylacetamide
CID 175560848
hydroxymethyl(phenyl)carbamic acid
CID 69165687
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]-N-phenylcarbamate
CID 57362028
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate
CID 125474358

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide?
The IUPAC name of N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide (CID 103516222) is N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide.
What is the SMILES notation for N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide?
The canonical SMILES for N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide is O=C(CCl)CN(C(=O)C(F)F)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide?
The InChIKey is NJMAZYHHUDLXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-6-9(16)7-15(11(17)10(13)14)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide?
N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide has a molecular weight of 261.65 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-oxopropyl)-2,2-difluoro-N-phenylacetamide is sourced from PubChem (CID 103516222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).