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

C14H18FNO3 — CID 16787400

IUPAC6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NCCCCCC(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-10-6-7-11(9-12(10)15)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyQLGVYKDTDHGNLA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.51
Rot. Bonds7

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

6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid (PubChem CID 16787400) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
PubChem CID16787400
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NCCCCCC(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-10-6-7-11(9-12(10)15)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyQLGVYKDTDHGNLA-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid (CID 16787400) is 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid is Cc1ccc(C(=O)NCCCCCC(=O)O)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid?
The InChIKey is QLGVYKDTDHGNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-6-7-11(9-12(10)15)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid?
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.51, 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]hexanoic acid is sourced from PubChem (CID 16787400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).