3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

C20H22F2N2O — CID 35619171

IUPAC3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22F2N2O/c21-18-9-5-15(13-19(18)22)6-10-20(25)23-14-16-3-7-17(8-4-16)24-11-1-2-12-24/h3-5,7-9,13H,1-2,6,10-12,14H2,(H,23,25)
InChIKeyFJVSNLNYISTFIE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.81
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 35619171) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID35619171
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22F2N2O/c21-18-9-5-15(13-19(18)22)6-10-20(25)23-14-16-3-7-17(8-4-16)24-11-1-2-12-24/h3-5,7-9,13H,1-2,6,10-12,14H2,(H,23,25)
InChIKeyFJVSNLNYISTFIE-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
2-(2,5-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 35616684
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 51095858
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 92679367
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 39112705
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]butanamide
CID 125054389

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 35619171) is 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide is O=C(CCc1ccc(F)c(F)c1)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is FJVSNLNYISTFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-18-9-5-15(13-19(18)22)6-10-20(25)23-14-16-3-7-17(8-4-16)24-11-1-2-12-24/h3-5,7-9,13H,1-2,6,10-12,14H2,(H,23,25).
What are the key properties of 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 35619171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).