2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide

C14H20F2N2O — CID 43113769

IUPAC2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-4-11(5-2)18-14(19)9(3)17-13-8-10(15)6-7-12(13)16/h6-9,11,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyWIECUCUDVAKPCQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.07
Rot. Bonds6

About 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide

2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide (PubChem CID 43113769) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
PubChem CID43113769
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-4-11(5-2)18-14(19)9(3)17-13-8-10(15)6-7-12(13)16/h6-9,11,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyWIECUCUDVAKPCQ-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide (CID 43113769) is 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide?
The InChIKey is WIECUCUDVAKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-11(5-2)18-14(19)9(3)17-13-8-10(15)6-7-12(13)16/h6-9,11,17H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide?
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide has a molecular weight of 270.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43113769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).