4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide

C23H38FNO2 — CID 143388228

IUPAC4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide
SMILESCCCC(CCCOc1ccc(C(=O)NCC)c(F)c1)CC(C)CC(C)C
InChIInChI=1S/C23H38FNO2/c1-6-9-19(15-18(5)14-17(3)4)10-8-13-27-20-11-12-21(22(24)16-20)23(26)25-7-2/h11-12,16-19H,6-10,13-15H2,1-5H3,(H,25,26)
InChIKeyVUVVKQBGSFQPCY-UHFFFAOYSA-N
MW379.56 g/mol
LogP6.22
Rot. Bonds13

About 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide

4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide (PubChem CID 143388228) has the molecular formula C23H38FNO2 and a molecular weight of 379.56 g/mol. Its IUPAC name is 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide
PubChem CID143388228
Molecular FormulaC23H38FNO2
Molecular Weight379.56 g/mol
Exact Mass379.29
IUPAC Name4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide
SMILESCCCC(CCCOc1ccc(C(=O)NCC)c(F)c1)CC(C)CC(C)C
InChIInChI=1S/C23H38FNO2/c1-6-9-19(15-18(5)14-17(3)4)10-8-13-27-20-11-12-21(22(24)16-20)23(26)25-7-2/h11-12,16-19H,6-10,13-15H2,1-5H3,(H,25,26)
InChIKeyVUVVKQBGSFQPCY-UHFFFAOYSA-N
XLogP6.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide
CID 168997178
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
4-butoxy-2-fluorobenzoate
CID 7015592
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 103804241
N-ethyl-2,6-difluoro-4-propoxybenzamide
CID 149430518
3-(2-fluoro-4-nonoxyphenyl)-3-oxopropanoic acid
CID 170887023
4-amino-N-ethyl-2-(2-methylpentoxy)benzamide
CID 103282874
4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675462
4-azido-N-ethyl-2-fluorobenzamide
CID 140535519

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide (CID 143388228) is 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide is CCCC(CCCOc1ccc(C(=O)NCC)c(F)c1)CC(C)CC(C)C.
What is the InChIKey of 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide?
The InChIKey is VUVVKQBGSFQPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38FNO2/c1-6-9-19(15-18(5)14-17(3)4)10-8-13-27-20-11-12-21(22(24)16-20)23(26)25-7-2/h11-12,16-19H,6-10,13-15H2,1-5H3,(H,25,26).
What are the key properties of 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide?
4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide has a molecular weight of 379.56 g/mol, XLogP of 6.22, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 143388228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).