2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide

C12H14Cl2FNO — CID 146098718

IUPAC2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide
SMILESCC(Cl)C(=O)NC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C12H14Cl2FNO/c1-7(13)11(17)16-12(2,3)8-5-4-6-9(14)10(8)15/h4-7H,1-3H3,(H,16,17)
InChIKeyGRLMGORFLUHNJN-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide

2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide (PubChem CID 146098718) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide
PubChem CID146098718
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide
SMILESCC(Cl)C(=O)NC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C12H14Cl2FNO/c1-7(13)11(17)16-12(2,3)8-5-4-6-9(14)10(8)15/h4-7H,1-3H3,(H,16,17)
InChIKeyGRLMGORFLUHNJN-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.46
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

2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 171559889
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
1-[2-[2-(3-chloro-2-fluorophenyl)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 146133126
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene
CID 138625473
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473330

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide?
The IUPAC name of 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide (CID 146098718) is 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide is CC(Cl)C(=O)NC(C)(C)c1cccc(Cl)c1F.
What is the InChIKey of 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide?
The InChIKey is GRLMGORFLUHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c1-7(13)11(17)16-12(2,3)8-5-4-6-9(14)10(8)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide?
2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide has a molecular weight of 278.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 146098718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).