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

C15H21F2NO — CID 86929569

IUPAC3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)14(17)11-12/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyRYVRGUQILUWXQU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.55
Rot. Bonds7

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

3-(3,4-difluorophenyl)-N,N-dipropylpropanamide (PubChem CID 86929569) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
PubChem CID86929569
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)14(17)11-12/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyRYVRGUQILUWXQU-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86929550
ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide (CID 86929569) is 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide?
The InChIKey is RYVRGUQILUWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)14(17)11-12/h5,7,11H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide?
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide has a molecular weight of 269.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N,N-dipropylpropanamide is sourced from PubChem (CID 86929569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).