N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C22H27FN2O2 — CID 110627319

IUPACN-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN2O2/c1-17-5-2-6-18(15-17)16-25-13-3-7-21(25)22(26)24-12-4-14-27-20-10-8-19(23)9-11-20/h2,5-6,8-11,15,21H,3-4,7,12-14,16H2,1H3,(H,24,26)
InChIKeyBGRGHKYSJVGCKW-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.68
Rot. Bonds8

About N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110627319) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110627319
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN2O2/c1-17-5-2-6-18(15-17)16-25-13-3-7-21(25)22(26)24-12-4-14-27-20-10-8-19(23)9-11-20/h2,5-6,8-11,15,21H,3-4,7,12-14,16H2,1H3,(H,24,26)
InChIKeyBGRGHKYSJVGCKW-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 24615813
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110419524
1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
CID 110427724
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110630522
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
1-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908573
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 110627319) is N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cccc(CN2CCCC2C(=O)NCCCOc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BGRGHKYSJVGCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-17-5-2-6-18(15-17)16-25-13-3-7-21(25)22(26)24-12-4-14-27-20-10-8-19(23)9-11-20/h2,5-6,8-11,15,21H,3-4,7,12-14,16H2,1H3,(H,24,26).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110627319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).