2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide

C10H10Cl2FNO — CID 114454641

IUPAC2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(Cl)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c1-14(2)10(15)9(12)6-3-7(11)5-8(13)4-6/h3-5,9H,1-2H3
InChIKeyPNOUEUJOHPMIQI-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide

2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide (PubChem CID 114454641) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide
PubChem CID114454641
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(Cl)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c1-14(2)10(15)9(12)6-3-7(11)5-8(13)4-6/h3-5,9H,1-2H3
InChIKeyPNOUEUJOHPMIQI-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(3,5-dichlorophenyl)-N,N-dimethylacetamide
CID 62225352
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
2-chloro-2-(3-chloro-5-fluorophenyl)-N-cyclopentylacetamide
CID 114454640
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
2-(3-chloro-5-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 170008911
methyl 2-[(3-chloro-5-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 114454668
2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide
CID 154856898
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
2-chloro-N,N-dimethyl-2-naphthalen-2-ylacetamide
CID 62224984
2-chloro-1-(3-chloro-5-fluorophenyl)butan-1-one
CID 130820578
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide (CID 114454641) is 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)C(Cl)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide?
The InChIKey is PNOUEUJOHPMIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-14(2)10(15)9(12)6-3-7(11)5-8(13)4-6/h3-5,9H,1-2H3.
What are the key properties of 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide?
2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide has a molecular weight of 250.10 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 114454641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).