3-(3,4-difluoroanilino)-N,N-dipropylpropanamide

C15H22F2N2O — CID 109033102

IUPAC3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-3-9-19(10-4-2)15(20)7-8-18-12-5-6-13(16)14(17)11-12/h5-6,11,18H,3-4,7-10H2,1-2H3
InChIKeyMYEJFRYVLNRFHV-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.42
Rot. Bonds8

About 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide

3-(3,4-difluoroanilino)-N,N-dipropylpropanamide (PubChem CID 109033102) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
PubChem CID109033102
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-3-9-19(10-4-2)15(20)7-8-18-12-5-6-13(16)14(17)11-12/h5-6,11,18H,3-4,7-10H2,1-2H3
InChIKeyMYEJFRYVLNRFHV-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
CID 109033062
methyl 3-(3,4-difluoroanilino)propanoate
CID 43365403
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3,4-difluoro-N-(2-propylsulfonylethyl)aniline
CID 106723062
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
methyl 4-(3,4-difluoroanilino)butanoate
CID 43377896
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
N,N-dipropyl-2-(2,3,4-trifluoroanilino)acetamide
CID 109006692

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide (CID 109033102) is 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide?
The InChIKey is MYEJFRYVLNRFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-9-19(10-4-2)15(20)7-8-18-12-5-6-13(16)14(17)11-12/h5-6,11,18H,3-4,7-10H2,1-2H3.
What are the key properties of 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide?
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide has a molecular weight of 284.35 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 109033102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).