2-fluoro-N-(3-hexoxyphenyl)benzamide

C19H22FNO2 — CID 17094825

IUPAC2-fluoro-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H22FNO2/c1-2-3-4-7-13-23-16-10-8-9-15(14-16)21-19(22)17-11-5-6-12-18(17)20/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,21,22)
InChIKeyKMHHJCRRACDMJZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP5.04
Rot. Bonds8

About 2-fluoro-N-(3-hexoxyphenyl)benzamide

2-fluoro-N-(3-hexoxyphenyl)benzamide (PubChem CID 17094825) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-fluoro-N-(3-hexoxyphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hexoxyphenyl)benzamide
PubChem CID17094825
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-fluoro-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H22FNO2/c1-2-3-4-7-13-23-16-10-8-9-15(14-16)21-19(22)17-11-5-6-12-18(17)20/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,21,22)
InChIKeyKMHHJCRRACDMJZ-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.39
LogP ≤ 55.04
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-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
2-fluoro-N-[3-[[(E)-(4-pentoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6876593
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hexoxyphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-hexoxyphenyl)benzamide (CID 17094825) is 2-fluoro-N-(3-hexoxyphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-hexoxyphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-hexoxyphenyl)benzamide is CCCCCCOc1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-(3-hexoxyphenyl)benzamide?
The InChIKey is KMHHJCRRACDMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-3-4-7-13-23-16-10-8-9-15(14-16)21-19(22)17-11-5-6-12-18(17)20/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,21,22).
What are the key properties of 2-fluoro-N-(3-hexoxyphenyl)benzamide?
2-fluoro-N-(3-hexoxyphenyl)benzamide has a molecular weight of 315.39 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hexoxyphenyl)benzamide is sourced from PubChem (CID 17094825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).