N-(2-fluorophenyl)-N',N'-dipropylpropanediamide

C15H21FN2O2 — CID 108952439

IUPACN-(2-fluorophenyl)-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-3-9-18(10-4-2)15(20)11-14(19)17-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyFAFSGZJDVHEERA-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.80
Rot. Bonds7

About N-(2-fluorophenyl)-N',N'-dipropylpropanediamide

N-(2-fluorophenyl)-N',N'-dipropylpropanediamide (PubChem CID 108952439) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N',N'-dipropylpropanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N',N'-dipropylpropanediamide
PubChem CID108952439
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(2-fluorophenyl)-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-3-9-18(10-4-2)15(20)11-14(19)17-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyFAFSGZJDVHEERA-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
CID 108952519
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
N'-(2-fluorophenyl)propanediamide
CID 70002209
2-[ethylsulfonyl(methyl)amino]-N-(2-fluorophenyl)acetamide
CID 99818124
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
CID 79667605
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N',N'-dipropylpropanediamide?
The IUPAC name of N-(2-fluorophenyl)-N',N'-dipropylpropanediamide (CID 108952439) is N-(2-fluorophenyl)-N',N'-dipropylpropanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N',N'-dipropylpropanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N',N'-dipropylpropanediamide is CCCN(CCC)C(=O)CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N',N'-dipropylpropanediamide?
The InChIKey is FAFSGZJDVHEERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-9-18(10-4-2)15(20)11-14(19)17-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-N',N'-dipropylpropanediamide?
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide has a molecular weight of 280.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N',N'-dipropylpropanediamide is sourced from PubChem (CID 108952439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).