N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide

C15H20F2N2O2 — CID 108952519

IUPACN-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O2/c1-3-8-19(9-4-2)14(21)10-13(20)18-15-11(16)6-5-7-12(15)17/h5-7H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyNZNHMQRKNQOPLX-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.94
Rot. Bonds7

About N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide

N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide (PubChem CID 108952519) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
PubChem CID108952519
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O2/c1-3-8-19(9-4-2)14(21)10-13(20)18-15-11(16)6-5-7-12(15)17/h5-7H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyNZNHMQRKNQOPLX-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.94
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-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
N-(2,6-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950205
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113160577
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide?
The IUPAC name of N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide (CID 108952519) is N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide is CCCN(CCC)C(=O)CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide?
The InChIKey is NZNHMQRKNQOPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-8-19(9-4-2)14(21)10-13(20)18-15-11(16)6-5-7-12(15)17/h5-7H,3-4,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide?
N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide has a molecular weight of 298.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide is sourced from PubChem (CID 108952519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).