N-(3,5-difluorophenyl)butanamide

C10H11F2NO — CID 17271988

IUPACN-(3,5-difluorophenyl)butanamide
SMILESCCCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO/c1-2-3-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyKLMCMDOZZSWVCX-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.70
Rot. Bonds3

About N-(3,5-difluorophenyl)butanamide

N-(3,5-difluorophenyl)butanamide (PubChem CID 17271988) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)butanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)butanamide
PubChem CID17271988
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC NameN-(3,5-difluorophenyl)butanamide
SMILESCCCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO/c1-2-3-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyKLMCMDOZZSWVCX-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
CID 17271977
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
5-chloro-N-(3,5-difluorophenyl)pentanamide
CID 28733613
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
N-(3-amino-5-fluorophenyl)-3-propoxypropanamide
CID 107334000
N-(3-fluoro-5-sulfamoylphenyl)pentanamide
CID 61132325
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
CID 107365757

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)butanamide?
The IUPAC name of N-(3,5-difluorophenyl)butanamide (CID 17271988) is N-(3,5-difluorophenyl)butanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)butanamide?
The canonical SMILES for N-(3,5-difluorophenyl)butanamide is CCCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)butanamide?
The InChIKey is KLMCMDOZZSWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-2-3-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(3,5-difluorophenyl)butanamide?
N-(3,5-difluorophenyl)butanamide has a molecular weight of 199.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)butanamide is sourced from PubChem (CID 17271988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).