2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide

C14H20F2N2O — CID 47839633

IUPAC2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CNC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(10-5-6-11(15)12(16)7-10)18-13(19)8-17-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyNEIQPMCODDLKRC-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds4

About 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide

2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide (PubChem CID 47839633) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
PubChem CID47839633
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CNC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(10-5-6-11(15)12(16)7-10)18-13(19)8-17-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyNEIQPMCODDLKRC-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide (CID 47839633) is 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide is CC(NC(=O)CNC(C)(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The InChIKey is NEIQPMCODDLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(10-5-6-11(15)12(16)7-10)18-13(19)8-17-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide has a molecular weight of 270.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 47839633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).