N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide

C21H27FN2O2 — CID 54821927

IUPACN-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H27FN2O2/c1-2-3-4-5-8-15-26-18-13-11-17(12-14-18)23-16-21(25)24-20-10-7-6-9-19(20)22/h6-7,9-14,23H,2-5,8,15-16H2,1H3,(H,24,25)
InChIKeyZNAFETCYZCAZEU-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.23
Rot. Bonds11

About N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide

N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide (PubChem CID 54821927) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide
PubChem CID54821927
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H27FN2O2/c1-2-3-4-5-8-15-26-18-13-11-17(12-14-18)23-16-21(25)24-20-10-7-6-9-19(20)22/h6-7,9-14,23H,2-5,8,15-16H2,1H3,(H,24,25)
InChIKeyZNAFETCYZCAZEU-UHFFFAOYSA-N
XLogP5.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-(3-chloro-2-methylphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821866
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
2-(4-heptoxyanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54821930
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide (CID 54821927) is N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide is CCCCCCCOc1ccc(NCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide?
The InChIKey is ZNAFETCYZCAZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-2-3-4-5-8-15-26-18-13-11-17(12-14-18)23-16-21(25)24-20-10-7-6-9-19(20)22/h6-7,9-14,23H,2-5,8,15-16H2,1H3,(H,24,25).
What are the key properties of N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide?
N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide has a molecular weight of 358.46 g/mol, XLogP of 5.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide is sourced from PubChem (CID 54821927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).