2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide

C12H16ClFN2O — CID 107365072

IUPAC2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-7(2)15-12(17)8(3)16-11-5-9(13)4-10(14)6-11/h4-8,16H,1-3H3,(H,15,17)
InChIKeyOXIFMBKHOADEQZ-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.80
Rot. Bonds4

About 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide

2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide (PubChem CID 107365072) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
PubChem CID107365072
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-7(2)15-12(17)8(3)16-11-5-9(13)4-10(14)6-11/h4-8,16H,1-3H3,(H,15,17)
InChIKeyOXIFMBKHOADEQZ-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoroanilino)propanoic acid
CID 107363833
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
N-propan-2-yl-2-(4-propan-2-ylanilino)propanamide
CID 43084814
(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
CID 172781783
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
2-(3,5-dichloroanilino)propanamide
CID 43085996
N-but-3-yn-2-yl-3-chloro-5-fluoroaniline
CID 107364846
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 18380270

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide (CID 107365072) is 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide?
The InChIKey is OXIFMBKHOADEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-7(2)15-12(17)8(3)16-11-5-9(13)4-10(14)6-11/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide?
2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide has a molecular weight of 258.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 107365072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).