N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide

C12H17FN2O2 — CID 113268571

IUPACN-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
SMILESO=C(CNCCCCO)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c13-10-4-3-5-11(8-10)15-12(17)9-14-6-1-2-7-16/h3-5,8,14,16H,1-2,6-7,9H2,(H,15,17)
InChIKeyCVYUBNBFIRJECM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.13
Rot. Bonds7

About N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide

N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide (PubChem CID 113268571) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
PubChem CID113268571
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
SMILESO=C(CNCCCCO)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c13-10-4-3-5-11(8-10)15-12(17)9-14-6-1-2-7-16/h3-5,8,14,16H,1-2,6-7,9H2,(H,15,17)
InChIKeyCVYUBNBFIRJECM-UHFFFAOYSA-N
XLogP1.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 114187533
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
CID 114093423
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide (CID 113268571) is N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide is O=C(CNCCCCO)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide?
The InChIKey is CVYUBNBFIRJECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-10-4-3-5-11(8-10)15-12(17)9-14-6-1-2-7-16/h3-5,8,14,16H,1-2,6-7,9H2,(H,15,17).
What are the key properties of N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide?
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide has a molecular weight of 240.28 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide is sourced from PubChem (CID 113268571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).