3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide

C18H20F2N2O — CID 112985224

IUPAC3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-2-3-4-11-21-14-6-8-15(9-7-14)22-18(23)13-5-10-16(19)17(20)12-13/h5-10,12,21H,2-4,11H2,1H3,(H,22,23)
InChIKeyOYZATSHMLYABLL-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.82
Rot. Bonds7

About 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide

3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide (PubChem CID 112985224) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
PubChem CID112985224
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-2-3-4-11-21-14-6-8-15(9-7-14)22-18(23)13-5-10-16(19)17(20)12-13/h5-10,12,21H,2-4,11H2,1H3,(H,22,23)
InChIKeyOYZATSHMLYABLL-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
3,4-difluoro-N-heptylbenzamide
CID 91717416
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983258
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
4-(pentylamino)benzoate
CID 53422656
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide (CID 112985224) is 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide is CCCCCNc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide?
The InChIKey is OYZATSHMLYABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-2-3-4-11-21-14-6-8-15(9-7-14)22-18(23)13-5-10-16(19)17(20)12-13/h5-10,12,21H,2-4,11H2,1H3,(H,22,23).
What are the key properties of 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide?
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide has a molecular weight of 318.37 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide is sourced from PubChem (CID 112985224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).