N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H15ClFNO2 — CID 112604948

IUPACN-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO2/c1-12(2,3)17-7-10(16)15-9-6-4-5-8(13)11(9)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyVBCQHYYMTSPNDE-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.23
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604948) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604948
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO2/c1-12(2,3)17-7-10(16)15-9-6-4-5-8(13)11(9)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyVBCQHYYMTSPNDE-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-(4-methylphenoxy)acetamide
CID 31507595
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
N-(3-chloro-2-fluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 26309229
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602650
N-(2,6-dichloro-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605640
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
CID 112602120
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604948) is N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is VBCQHYYMTSPNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-12(2,3)17-7-10(16)15-9-6-4-5-8(13)11(9)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 259.71 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).