3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide

C13H18FNO3 — CID 60682225

IUPAC3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N(CCO)CCO
InChIInChI=1S/C13H18FNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-2,4-5,16-17H,3,6-10H2
InChIKeySHPTYEJDAVMGTD-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.57
Rot. Bonds7

About 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide

3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide (PubChem CID 60682225) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
PubChem CID60682225
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N(CCO)CCO
InChIInChI=1S/C13H18FNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-2,4-5,16-17H,3,6-10H2
InChIKeySHPTYEJDAVMGTD-UHFFFAOYSA-N
XLogP0.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
3-[2-carboxyethyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325169
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
3-[3-hydroxypropyl-[3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 82325805
4-[3-(4-fluorophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 60825387
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide (CID 60682225) is 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide is O=C(CCc1ccc(F)cc1)N(CCO)CCO.
What is the InChIKey of 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The InChIKey is SHPTYEJDAVMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-2,4-5,16-17H,3,6-10H2.
What are the key properties of 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide?
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide has a molecular weight of 255.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide is sourced from PubChem (CID 60682225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).