N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide

C24H30F2N2O — CID 23502669

IUPACN-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide
SMILESCc1cccc(C)c1C(CN1CCCC1)N(C=O)CCCc1c(F)cccc1F
InChIInChI=1S/C24H30F2N2O/c1-18-8-5-9-19(2)24(18)23(16-27-13-3-4-14-27)28(17-29)15-7-10-20-21(25)11-6-12-22(20)26/h5-6,8-9,11-12,17,23H,3-4,7,10,13-16H2,1-2H3
InChIKeyCUURCVKEIMNRQO-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.81
Rot. Bonds9

About N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide

N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide (PubChem CID 23502669) has the molecular formula C24H30F2N2O and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide
PubChem CID23502669
Molecular FormulaC24H30F2N2O
Molecular Weight400.51 g/mol
Exact Mass400.23
IUPAC NameN-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide
SMILESCc1cccc(C)c1C(CN1CCCC1)N(C=O)CCCc1c(F)cccc1F
InChIInChI=1S/C24H30F2N2O/c1-18-8-5-9-19(2)24(18)23(16-27-13-3-4-14-27)28(17-29)15-7-10-20-21(25)11-6-12-22(20)26/h5-6,8-9,11-12,17,23H,3-4,7,10,13-16H2,1-2H3
InChIKeyCUURCVKEIMNRQO-UHFFFAOYSA-N
XLogP4.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide?
The IUPAC name of N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide (CID 23502669) is N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide?
The canonical SMILES for N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide is Cc1cccc(C)c1C(CN1CCCC1)N(C=O)CCCc1c(F)cccc1F.
What is the InChIKey of N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide?
The InChIKey is CUURCVKEIMNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O/c1-18-8-5-9-19(2)24(18)23(16-27-13-3-4-14-27)28(17-29)15-7-10-20-21(25)11-6-12-22(20)26/h5-6,8-9,11-12,17,23H,3-4,7,10,13-16H2,1-2H3.
What are the key properties of N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide?
N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide has a molecular weight of 400.51 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)propyl]-N-[1-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylethyl]formamide is sourced from PubChem (CID 23502669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).