N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide

C20H23ClFNO2 — CID 4950672

IUPACN-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClFNO2/c1-2-3-4-5-6-13-25-17-10-7-15(8-11-17)20(24)23-16-9-12-19(22)18(21)14-16/h7-12,14H,2-6,13H2,1H3,(H,23,24)
InChIKeyNYEFOIXGIGXWPX-UHFFFAOYSA-N
MW363.86 g/mol
LogP6.08
Rot. Bonds9

About N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide

N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide (PubChem CID 4950672) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
PubChem CID4950672
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClFNO2/c1-2-3-4-5-6-13-25-17-10-7-15(8-11-17)20(24)23-16-9-12-19(22)18(21)14-16/h7-12,14H,2-6,13H2,1H3,(H,23,24)
InChIKeyNYEFOIXGIGXWPX-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.86
LogP ≤ 56.08
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

N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide (CID 4950672) is N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide?
The InChIKey is NYEFOIXGIGXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO2/c1-2-3-4-5-6-13-25-17-10-7-15(8-11-17)20(24)23-16-9-12-19(22)18(21)14-16/h7-12,14H,2-6,13H2,1H3,(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide?
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide has a molecular weight of 363.86 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide is sourced from PubChem (CID 4950672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).