2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide

C12H16ClFN2O — CID 43385741

IUPAC2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-8(2)16(3)12(17)7-15-11-6-9(13)4-5-10(11)14/h4-6,8,15H,7H2,1-3H3
InChIKeyVFONZYCAVXITNW-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.76
Rot. Bonds4

About 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide

2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 43385741) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
PubChem CID43385741
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-8(2)16(3)12(17)7-15-11-6-9(13)4-5-10(11)14/h4-6,8,15H,7H2,1-3H3
InChIKeyVFONZYCAVXITNW-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879085
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
CID 86791806
4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
CID 97054732
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide (CID 43385741) is 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is VFONZYCAVXITNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(2)16(3)12(17)7-15-11-6-9(13)4-5-10(11)14/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 258.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43385741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).