N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide

C21H31F2N3O2 — CID 56553116

IUPACN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1
InChIInChI=1S/C21H31F2N3O2/c1-3-10-25(11-4-2)20(28)9-7-8-19(27)24-16-14-17(22)21(18(23)15-16)26-12-5-6-13-26/h14-15H,3-13H2,1-2H3,(H,24,27)
InChIKeyWFXXZHZEIQTJHJ-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.32
Rot. Bonds10

About N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide (PubChem CID 56553116) has the molecular formula C21H31F2N3O2 and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide
PubChem CID56553116
Molecular FormulaC21H31F2N3O2
Molecular Weight395.49 g/mol
Exact Mass395.24
IUPAC NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1
InChIInChI=1S/C21H31F2N3O2/c1-3-10-25(11-4-2)20(28)9-7-8-19(27)24-16-14-17(22)21(18(23)15-16)26-12-5-6-13-26/h14-15H,3-13H2,1-2H3,(H,24,27)
InChIKeyWFXXZHZEIQTJHJ-UHFFFAOYSA-N
XLogP4.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N',N'-dipropylpentanediamide
CID 56552807
N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide
CID 56538840
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
CID 56538986
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
N-(6-amino-3-pyridinyl)-N',N'-dipropylpentanediamide
CID 119516549
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165
2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55835649
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545515
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide
CID 119619072
N-(3,5-difluoro-4-piperidin-1-ylphenyl)ethanesulfonamide
CID 91661194
2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
CID 56552310

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide (CID 56553116) is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1.
What is the InChIKey of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide?
The InChIKey is WFXXZHZEIQTJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N3O2/c1-3-10-25(11-4-2)20(28)9-7-8-19(27)24-16-14-17(22)21(18(23)15-16)26-12-5-6-13-26/h14-15H,3-13H2,1-2H3,(H,24,27).
What are the key properties of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide?
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide has a molecular weight of 395.49 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56553116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).