4-[3-(ethylamino)propylamino]-3-fluorobenzamide

C12H18FN3O — CID 54906629

IUPAC4-[3-(ethylamino)propylamino]-3-fluorobenzamide
SMILESCCNCCCNc1ccc(C(N)=O)cc1F
InChIInChI=1S/C12H18FN3O/c1-2-15-6-3-7-16-11-5-4-9(12(14)17)8-10(11)13/h4-5,8,15-16H,2-3,6-7H2,1H3,(H2,14,17)
InChIKeySMGZYUAELLMJGH-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.34
Rot. Bonds7

About 4-[3-(ethylamino)propylamino]-3-fluorobenzamide

4-[3-(ethylamino)propylamino]-3-fluorobenzamide (PubChem CID 54906629) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[3-(ethylamino)propylamino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[3-(ethylamino)propylamino]-3-fluorobenzamide
PubChem CID54906629
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-[3-(ethylamino)propylamino]-3-fluorobenzamide
SMILESCCNCCCNc1ccc(C(N)=O)cc1F
InChIInChI=1S/C12H18FN3O/c1-2-15-6-3-7-16-11-5-4-9(12(14)17)8-10(11)13/h4-5,8,15-16H,2-3,6-7H2,1H3,(H2,14,17)
InChIKeySMGZYUAELLMJGH-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-carbamoyl-2-fluoroanilino)butanoic acid
CID 43656925
methyl 4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-fluorobenzoate
CID 169223575
N-ethyl-N'-(2-fluoro-4-nitrophenyl)propane-1,3-diamine
CID 54906818
4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
CID 61020016
4-[3-(ethylamino)propylcarbamoylamino]-3-fluorobenzoic acid
CID 63189848
3-fluoro-4-(pentylamino)benzenecarbothioamide
CID 43657742
2-[3-(ethylamino)propylamino]benzamide
CID 61020118
4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
CID 62335925
4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
CID 63194773
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide
CID 80505506

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propylamino]-3-fluorobenzamide?
The IUPAC name of 4-[3-(ethylamino)propylamino]-3-fluorobenzamide (CID 54906629) is 4-[3-(ethylamino)propylamino]-3-fluorobenzamide.
What is the SMILES notation for 4-[3-(ethylamino)propylamino]-3-fluorobenzamide?
The canonical SMILES for 4-[3-(ethylamino)propylamino]-3-fluorobenzamide is CCNCCCNc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[3-(ethylamino)propylamino]-3-fluorobenzamide?
The InChIKey is SMGZYUAELLMJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-15-6-3-7-16-11-5-4-9(12(14)17)8-10(11)13/h4-5,8,15-16H,2-3,6-7H2,1H3,(H2,14,17).
What are the key properties of 4-[3-(ethylamino)propylamino]-3-fluorobenzamide?
4-[3-(ethylamino)propylamino]-3-fluorobenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propylamino]-3-fluorobenzamide is sourced from PubChem (CID 54906629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).