N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide

C14H19F2NO2 — CID 107482538

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C14H19F2NO2/c1-2-12(11-6-4-3-5-7-11)14(19)17(8-9-18)10-13(15)16/h3-7,12-13,18H,2,8-10H2,1H3
InChIKeyFIDULSALAOILHN-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.27
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide (PubChem CID 107482538) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
PubChem CID107482538
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C14H19F2NO2/c1-2-12(11-6-4-3-5-7-11)14(19)17(8-9-18)10-13(15)16/h3-7,12-13,18H,2,8-10H2,1H3
InChIKeyFIDULSALAOILHN-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479341
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878005
N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
CID 54917384
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 64567111
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide (CID 107482538) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide is CCC(C(=O)N(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide?
The InChIKey is FIDULSALAOILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-12(11-6-4-3-5-7-11)14(19)17(8-9-18)10-13(15)16/h3-7,12-13,18H,2,8-10H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide has a molecular weight of 271.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide is sourced from PubChem (CID 107482538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).