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

C21H24ClFN2O2 — CID 90595771

IUPAC3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
SMILESCOC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(F)c3)cc2)CC1
InChIInChI=1S/C21H24ClFN2O2/c1-27-18-10-12-25(13-11-18)17-6-4-16(5-7-17)24-21(26)9-3-15-2-8-19(22)20(23)14-15/h2,4-8,14,18H,3,9-13H2,1H3,(H,24,26)
InChIKeyDBSYRVIGJYZXFT-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.67
Rot. Bonds6

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

3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide (PubChem CID 90595771) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
PubChem CID90595771
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
SMILESCOC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(F)c3)cc2)CC1
InChIInChI=1S/C21H24ClFN2O2/c1-27-18-10-12-25(13-11-18)17-6-4-16(5-7-17)24-21(26)9-3-15-2-8-19(22)20(23)14-15/h2,4-8,14,18H,3,9-13H2,1H3,(H,24,26)
InChIKeyDBSYRVIGJYZXFT-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-naphthalen-1-ylpropanamide
CID 71809665
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide (CID 90595771) is 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide is COC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(F)c3)cc2)CC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide?
The InChIKey is DBSYRVIGJYZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-27-18-10-12-25(13-11-18)17-6-4-16(5-7-17)24-21(26)9-3-15-2-8-19(22)20(23)14-15/h2,4-8,14,18H,3,9-13H2,1H3,(H,24,26).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide?
3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide has a molecular weight of 390.89 g/mol, XLogP of 4.67, 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-(4-methoxypiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 90595771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).