N-[1-(3,4-difluorophenyl)ethyl]butanamide

C12H15F2NO — CID 60630405

IUPACN-[1-(3,4-difluorophenyl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-3-4-12(16)15-8(2)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyADCPTXDTLQDCJW-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.94
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]butanamide

N-[1-(3,4-difluorophenyl)ethyl]butanamide (PubChem CID 60630405) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]butanamide
PubChem CID60630405
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-3-4-12(16)15-8(2)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyADCPTXDTLQDCJW-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]butanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]butanamide (CID 60630405) is N-[1-(3,4-difluorophenyl)ethyl]butanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]butanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]butanamide is CCCC(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]butanamide?
The InChIKey is ADCPTXDTLQDCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-4-12(16)15-8(2)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]butanamide?
N-[1-(3,4-difluorophenyl)ethyl]butanamide has a molecular weight of 227.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]butanamide is sourced from PubChem (CID 60630405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).