3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide

C13H19FN2O3 — CID 62022676

IUPAC3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN(CCO)CCO)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O3/c14-11-2-1-3-12(10-11)15-13(19)4-5-16(6-8-17)7-9-18/h1-3,10,17-18H,4-9H2,(H,15,19)
InChIKeyCBUXSFCGNIAUIL-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.44
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide

3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide (PubChem CID 62022676) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
PubChem CID62022676
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN(CCO)CCO)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN2O3/c14-11-2-1-3-12(10-11)15-13(19)4-5-16(6-8-17)7-9-18/h1-3,10,17-18H,4-9H2,(H,15,19)
InChIKeyCBUXSFCGNIAUIL-UHFFFAOYSA-N
XLogP0.44
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide (CID 62022676) is 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide is O=C(CCN(CCO)CCO)Nc1cccc(F)c1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide?
The InChIKey is CBUXSFCGNIAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c14-11-2-1-3-12(10-11)15-13(19)4-5-16(6-8-17)7-9-18/h1-3,10,17-18H,4-9H2,(H,15,19).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide?
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide has a molecular weight of 270.30 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 62022676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).