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

C16H22FNO3 — CID 65285580

IUPAC6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
SMILESCc1ccc(C(=O)NC(C)CCCC(C)C(=O)O)cc1F
InChIInChI=1S/C16H22FNO3/c1-10-7-8-13(9-14(10)17)15(19)18-12(3)6-4-5-11(2)16(20)21/h7-9,11-12H,4-6H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyYEYKSQREJQNVGJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.14
Rot. Bonds7

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

6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid (PubChem CID 65285580) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
PubChem CID65285580
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
SMILESCc1ccc(C(=O)NC(C)CCCC(C)C(=O)O)cc1F
InChIInChI=1S/C16H22FNO3/c1-10-7-8-13(9-14(10)17)15(19)18-12(3)6-4-5-11(2)16(20)21/h7-9,11-12H,4-6H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyYEYKSQREJQNVGJ-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]pentanedioic acid
CID 61153615
6-[[4-(hydroxymethyl)benzoyl]amino]-2-methylheptanoic acid
CID 65285355
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid (CID 65285580) is 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid is Cc1ccc(C(=O)NC(C)CCCC(C)C(=O)O)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid?
The InChIKey is YEYKSQREJQNVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-10-7-8-13(9-14(10)17)15(19)18-12(3)6-4-5-11(2)16(20)21/h7-9,11-12H,4-6H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid?
6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid has a molecular weight of 295.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65285580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).