3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide

C12H16ClFN2O — CID 62623790

IUPAC3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-8(2)16-12(17)5-6-15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZCELHMBGBNUJCI-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide

3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide (PubChem CID 62623790) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
PubChem CID62623790
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-8(2)16-12(17)5-6-15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZCELHMBGBNUJCI-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623782
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide (CID 62623790) is 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide?
The InChIKey is ZCELHMBGBNUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(2)16-12(17)5-6-15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide?
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide has a molecular weight of 258.72 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62623790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).