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

C14H18FNO4 — CID 81283430

IUPAC6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)ccc1F
InChIInChI=1S/C14H18FNO4/c1-20-12-9-10(6-7-11(12)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)
InChIKeyCJCXEVQYFNEACB-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.21
Rot. Bonds8

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

6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid (PubChem CID 81283430) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
PubChem CID81283430
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)ccc1F
InChIInChI=1S/C14H18FNO4/c1-20-12-9-10(6-7-11(12)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)
InChIKeyCJCXEVQYFNEACB-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
4-[[2-(4-fluoro-3-methoxyphenyl)acetyl]amino]butanoic acid
CID 110834525
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid (CID 81283430) is 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid is COc1cc(C(=O)NCCCCCC(=O)O)ccc1F.
What is the InChIKey of 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid?
The InChIKey is CJCXEVQYFNEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-20-12-9-10(6-7-11(12)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-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid?
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 81283430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).