N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide

C19H22FNO2 — CID 17068474

IUPACN-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO2/c1-2-3-6-13-23-17-11-9-15(10-12-17)19(22)21-14-16-7-4-5-8-18(16)20/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,21,22)
InChIKeyJHLGFTLOZHUBSO-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.32
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide

N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide (PubChem CID 17068474) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
PubChem CID17068474
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO2/c1-2-3-6-13-23-17-11-9-15(10-12-17)19(22)21-14-16-7-4-5-8-18(16)20/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,21,22)
InChIKeyJHLGFTLOZHUBSO-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.32
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

1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide (CID 17068474) is N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide?
The InChIKey is JHLGFTLOZHUBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-3-6-13-23-17-11-9-15(10-12-17)19(22)21-14-16-7-4-5-8-18(16)20/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide?
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide has a molecular weight of 315.39 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide is sourced from PubChem (CID 17068474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).