4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid

C16H22FNO3 — CID 81479895

IUPAC4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid
SMILESCCC(CCNC(=O)c1cccc(C)c1F)CCC(=O)O
InChIInChI=1S/C16H22FNO3/c1-3-12(7-8-14(19)20)9-10-18-16(21)13-6-4-5-11(2)15(13)17/h4-6,12H,3,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFKYZKHWHGJUHEK-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.15
Rot. Bonds8

About 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid

4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid (PubChem CID 81479895) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid
PubChem CID81479895
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid
SMILESCCC(CCNC(=O)c1cccc(C)c1F)CCC(=O)O
InChIInChI=1S/C16H22FNO3/c1-3-12(7-8-14(19)20)9-10-18-16(21)13-6-4-5-11(2)15(13)17/h4-6,12H,3,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFKYZKHWHGJUHEK-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
6-[(5-amino-2-bromobenzoyl)amino]-4-ethylhexanoic acid
CID 115297367
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532
6-[(3-chloro-4-fluorobenzoyl)amino]-4-ethylhexanoic acid
CID 82873187
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid (CID 81479895) is 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid is CCC(CCNC(=O)c1cccc(C)c1F)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid?
The InChIKey is FKYZKHWHGJUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-12(7-8-14(19)20)9-10-18-16(21)13-6-4-5-11(2)15(13)17/h4-6,12H,3,7-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid?
4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid has a molecular weight of 295.35 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 81479895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).