N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide

C23H27FN2O3 — CID 42680299

IUPACN,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1ccc(OC)cc1
InChIInChI=1S/C23H27FN2O3/c1-4-25(5-2)23(28)21-15-26(22(27)17-6-10-18(24)11-7-17)14-20(21)16-8-12-19(29-3)13-9-16/h6-13,20-21H,4-5,14-15H2,1-3H3
InChIKeyWCGMWSUQGVSQPC-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.56
Rot. Bonds6

About N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide

N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42680299) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42680299
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC NameN,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1ccc(OC)cc1
InChIInChI=1S/C23H27FN2O3/c1-4-25(5-2)23(28)21-15-26(22(27)17-6-10-18(24)11-7-17)14-20(21)16-8-12-19(29-3)13-9-16/h6-13,20-21H,4-5,14-15H2,1-3H3
InChIKeyWCGMWSUQGVSQPC-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42680299) is N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WCGMWSUQGVSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-4-25(5-2)23(28)21-15-26(22(27)17-6-10-18(24)11-7-17)14-20(21)16-8-12-19(29-3)13-9-16/h6-13,20-21H,4-5,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).