N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide

C13H17F2NO2 — CID 79204676

IUPACN-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)CCCO
InChIInChI=1S/C13H17F2NO2/c1-2-16(13(18)4-3-7-17)9-10-5-6-11(14)12(15)8-10/h5-6,8,17H,2-4,7,9H2,1H3
InChIKeyUKEIFVFFQHJUHF-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.09
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide

N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide (PubChem CID 79204676) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
PubChem CID79204676
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)CCCO
InChIInChI=1S/C13H17F2NO2/c1-2-16(13(18)4-3-7-17)9-10-5-6-11(14)12(15)8-10/h5-6,8,17H,2-4,7,9H2,1H3
InChIKeyUKEIFVFFQHJUHF-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 54872580
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669
3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86929550
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071463
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide (CID 79204676) is N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide is CCN(Cc1ccc(F)c(F)c1)C(=O)CCCO.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide?
The InChIKey is UKEIFVFFQHJUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-16(13(18)4-3-7-17)9-10-5-6-11(14)12(15)8-10/h5-6,8,17H,2-4,7,9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide?
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide has a molecular weight of 257.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide is sourced from PubChem (CID 79204676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).