N-butyl-4-fluoro-3-phenoxybenzamide

C17H18FNO2 — CID 134100866

IUPACN-butyl-4-fluoro-3-phenoxybenzamide
SMILESCCCCNC(=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C17H18FNO2/c1-2-3-11-19-17(20)13-9-10-15(18)16(12-13)21-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChIKeyOCDVSTWWRDVPIR-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.15
Rot. Bonds6

About N-butyl-4-fluoro-3-phenoxybenzamide

N-butyl-4-fluoro-3-phenoxybenzamide (PubChem CID 134100866) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-butyl-4-fluoro-3-phenoxybenzamide.

Molecular Properties

Compound NameN-butyl-4-fluoro-3-phenoxybenzamide
PubChem CID134100866
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-butyl-4-fluoro-3-phenoxybenzamide
SMILESCCCCNC(=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C17H18FNO2/c1-2-3-11-19-17(20)13-9-10-15(18)16(12-13)21-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChIKeyOCDVSTWWRDVPIR-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.15
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

3,4-difluoro-N-heptylbenzamide
CID 91717416
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
N-butyl-4-phenylbenzamide
CID 3637649
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-3-phenoxybenzamide?
The IUPAC name of N-butyl-4-fluoro-3-phenoxybenzamide (CID 134100866) is N-butyl-4-fluoro-3-phenoxybenzamide.
What is the SMILES notation for N-butyl-4-fluoro-3-phenoxybenzamide?
The canonical SMILES for N-butyl-4-fluoro-3-phenoxybenzamide is CCCCNC(=O)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of N-butyl-4-fluoro-3-phenoxybenzamide?
The InChIKey is OCDVSTWWRDVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-3-11-19-17(20)13-9-10-15(18)16(12-13)21-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,19,20).
What are the key properties of N-butyl-4-fluoro-3-phenoxybenzamide?
N-butyl-4-fluoro-3-phenoxybenzamide has a molecular weight of 287.33 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-3-phenoxybenzamide is sourced from PubChem (CID 134100866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).