2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide

C16H26FN3O — CID 43319089

IUPAC2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(CCCN)c1ccccc1F
InChIInChI=1S/C16H26FN3O/c1-4-19(5-2)16(21)13(3)20(12-8-11-18)15-10-7-6-9-14(15)17/h6-7,9-10,13H,4-5,8,11-12,18H2,1-3H3
InChIKeyWQQDSGQXDISRCU-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.24
Rot. Bonds8

About 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide

2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide (PubChem CID 43319089) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide
PubChem CID43319089
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(CCCN)c1ccccc1F
InChIInChI=1S/C16H26FN3O/c1-4-19(5-2)16(21)13(3)20(12-8-11-18)15-10-7-6-9-14(15)17/h6-7,9-10,13H,4-5,8,11-12,18H2,1-3H3
InChIKeyWQQDSGQXDISRCU-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide
CID 43318826
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320
2-[3-aminopropyl(methyl)amino]-N,N-diethylpropanamide
CID 43116469
2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118749
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
CID 62326935
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
CID 62877338
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide?
The IUPAC name of 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide (CID 43319089) is 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(CCCN)c1ccccc1F.
What is the InChIKey of 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide?
The InChIKey is WQQDSGQXDISRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-4-19(5-2)16(21)13(3)20(12-8-11-18)15-10-7-6-9-14(15)17/h6-7,9-10,13H,4-5,8,11-12,18H2,1-3H3.
What are the key properties of 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide?
2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide has a molecular weight of 295.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide is sourced from PubChem (CID 43319089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).