3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C17H25FN2O3 — CID 111697564

IUPAC3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCC(CCO)CC(C)C)ccc1F
InChIInChI=1S/C17H25FN2O3/c1-11(2)8-13(6-7-21)10-19-17(23)14-4-5-15(18)16(9-14)20-12(3)22/h4-5,9,11,13,21H,6-8,10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWEYQTXUIPQASCJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.56
Rot. Bonds8

About 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 111697564) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID111697564
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCC(CCO)CC(C)C)ccc1F
InChIInChI=1S/C17H25FN2O3/c1-11(2)8-13(6-7-21)10-19-17(23)14-4-5-15(18)16(9-14)20-12(3)22/h4-5,9,11,13,21H,6-8,10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWEYQTXUIPQASCJ-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111521056
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
(3S)-3-[[(3,4-difluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492448
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521496
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 111697564) is 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(=O)Nc1cc(C(=O)NCC(CCO)CC(C)C)ccc1F.
What is the InChIKey of 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is WEYQTXUIPQASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)8-13(6-7-21)10-19-17(23)14-4-5-15(18)16(9-14)20-12(3)22/h4-5,9,11,13,21H,6-8,10H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 324.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 111697564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).