3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide

C23H20Cl2FNO2 — CID 100596570

IUPAC3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H20Cl2FNO2/c24-21-11-5-16(13-22(21)25)6-12-23(28)27-14-17-3-9-20(10-4-17)29-15-18-1-7-19(26)8-2-18/h1-5,7-11,13H,6,12,14-15H2,(H,27,28)
InChIKeyLDLGCDJAOVEFKX-UHFFFAOYSA-N
MW432.32 g/mol
LogP5.96
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide

3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide (PubChem CID 100596570) has the molecular formula C23H20Cl2FNO2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
PubChem CID100596570
Molecular FormulaC23H20Cl2FNO2
Molecular Weight432.32 g/mol
Exact Mass431.09
IUPAC Name3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H20Cl2FNO2/c24-21-11-5-16(13-22(21)25)6-12-23(28)27-14-17-3-9-20(10-4-17)29-15-18-1-7-19(26)8-2-18/h1-5,7-11,13H,6,12,14-15H2,(H,27,28)
InChIKeyLDLGCDJAOVEFKX-UHFFFAOYSA-N
XLogP5.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55609644
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
CID 122714734
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100624807

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide (CID 100596570) is 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide is O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
The InChIKey is LDLGCDJAOVEFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FNO2/c24-21-11-5-16(13-22(21)25)6-12-23(28)27-14-17-3-9-20(10-4-17)29-15-18-1-7-19(26)8-2-18/h1-5,7-11,13H,6,12,14-15H2,(H,27,28).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide has a molecular weight of 432.32 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide is sourced from PubChem (CID 100596570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).