3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide

C20H22ClFN2O2 — CID 71809576

IUPAC3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
SMILESCOC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(F)c3)cc2)C1
InChIInChI=1S/C20H22ClFN2O2/c1-26-17-10-11-24(13-17)16-6-4-15(5-7-16)23-20(25)9-3-14-2-8-18(21)19(22)12-14/h2,4-8,12,17H,3,9-11,13H2,1H3,(H,23,25)
InChIKeySGVWLHBZKXEUEU-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.28
Rot. Bonds6

About 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide

3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide (PubChem CID 71809576) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
PubChem CID71809576
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
SMILESCOC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(F)c3)cc2)C1
InChIInChI=1S/C20H22ClFN2O2/c1-26-17-10-11-24(13-17)16-6-4-15(5-7-16)23-20(25)9-3-14-2-8-18(21)19(22)12-14/h2,4-8,12,17H,3,9-11,13H2,1H3,(H,23,25)
InChIKeySGVWLHBZKXEUEU-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]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-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
CID 90595771
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
1-[(4-chlorophenyl)methyl]-3-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]urea
CID 97427698
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 97427618
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide (CID 71809576) is 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide is COC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(F)c3)cc2)C1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is SGVWLHBZKXEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-26-17-10-11-24(13-17)16-6-4-15(5-7-16)23-20(25)9-3-14-2-8-18(21)19(22)12-14/h2,4-8,12,17H,3,9-11,13H2,1H3,(H,23,25).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 376.86 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 71809576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).