N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide

C16H26FN3O — CID 28982408

IUPACN-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C16H26FN3O/c1-3-5-9-20(10-6-4-2)12-16(21)19-13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12,18H2,1-2H3,(H,19,21)
InChIKeyICMSJUWBCQMPPC-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.25
Rot. Bonds9

About N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide

N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide (PubChem CID 28982408) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
PubChem CID28982408
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C16H26FN3O/c1-3-5-9-20(10-6-4-2)12-16(21)19-13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12,18H2,1-2H3,(H,19,21)
InChIKeyICMSJUWBCQMPPC-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
2-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374534
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
N-(3-amino-4-fluorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540705

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide (CID 28982408) is N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide is CCCCN(CCCC)CC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide?
The InChIKey is ICMSJUWBCQMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-3-5-9-20(10-6-4-2)12-16(21)19-13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide?
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide has a molecular weight of 295.40 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide is sourced from PubChem (CID 28982408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).