N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide

C13H18FNO2 — CID 113339465

IUPACN-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
SMILESCCN(CCCO)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H18FNO2/c1-3-15(7-4-8-16)13(17)12-9-11(14)6-5-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyKZHNPIJLCVDGSG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide

N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide (PubChem CID 113339465) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
PubChem CID113339465
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
SMILESCCN(CCCO)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H18FNO2/c1-3-15(7-4-8-16)13(17)12-9-11(14)6-5-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyKZHNPIJLCVDGSG-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-N,N-diethylbenzamide
CID 75945
N,N,N',N'-Tetraethylphthalamide
CID 66526
4-(Diethylcarbamoyl)phenylboronic Acid
CID 2773375
N,N-Dibutylbenzamide
CID 32774
N-benzyl-N,2-dimethylbenzamide
CID 779170
2-(3-Hydroxypropyl)isoindoline-1,3-dione
CID 70160
N-Benzyl-N-ethyl-2-methylbenzamide
CID 576969
1-(4,5-Difluoro-2-methylbenzoyl)pyrrolidine
CID 593452
2-Fluoro-N,N-diisopropylbenzamide
CID 785786
Benzamide, N,N-diethyl-2,4-dimethyl-
CID 41198
N,N-dihexylbenzamide
CID 4577308
N,N-Diethyl-2,5-difluorobenzamide
CID 5044848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide?
The IUPAC name of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide (CID 113339465) is N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide?
The canonical SMILES for N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide is CCN(CCCO)C(=O)c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide?
The InChIKey is KZHNPIJLCVDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-15(7-4-8-16)13(17)12-9-11(14)6-5-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide?
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide is sourced from PubChem (CID 113339465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).