N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide

C14H20F2N2O2 — CID 103770356

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-18(2)11-6-3-10(4-7-11)5-8-13(20)17-9-12(19)14(15)16/h3-4,6-7,12,14,19H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyCAKBKTJNUMSWDN-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.43
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide (PubChem CID 103770356) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
PubChem CID103770356
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-18(2)11-6-3-10(4-7-11)5-8-13(20)17-9-12(19)14(15)16/h3-4,6-7,12,14,19H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyCAKBKTJNUMSWDN-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
CID 103770257
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide (CID 103770356) is N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide is CN(C)c1ccc(CCC(=O)NCC(O)C(F)F)cc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is CAKBKTJNUMSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18(2)11-6-3-10(4-7-11)5-8-13(20)17-9-12(19)14(15)16/h3-4,6-7,12,14,19H,5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 286.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 103770356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).