N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide

C18H21FN2O — CID 112980257

IUPACN-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
SMILESCCCCNc1ccc(NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-2-3-11-20-16-7-9-17(10-8-16)21-18(22)13-14-5-4-6-15(19)12-14/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22)
InChIKeyLXHUPXAIOPACAP-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide

N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide (PubChem CID 112980257) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
PubChem CID112980257
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
SMILESCCCCNc1ccc(NC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-2-3-11-20-16-7-9-17(10-8-16)21-18(22)13-14-5-4-6-15(19)12-14/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22)
InChIKeyLXHUPXAIOPACAP-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.22
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-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 46467166
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
CID 62303729
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide (CID 112980257) is N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide is CCCCNc1ccc(NC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is LXHUPXAIOPACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-2-3-11-20-16-7-9-17(10-8-16)21-18(22)13-14-5-4-6-15(19)12-14/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22).
What are the key properties of N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide?
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 112980257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).