3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide

C24H26Cl2F2N2O2 — CID 162579691

IUPAC3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide
SMILESC=CN(CC)CCOc1ccc(NC(=O)CCc2ccc(C(F)(F)C=C)cc2Cl)cc1Cl
InChIInChI=1S/C24H26Cl2F2N2O2/c1-4-24(27,28)18-9-7-17(20(25)15-18)8-12-23(31)29-19-10-11-22(21(26)16-19)32-14-13-30(5-2)6-3/h4-5,7,9-11,15-16H,1-2,6,8,12-14H2,3H3,(H,29,31)
InChIKeyRCJMTVKFVUZDQX-UHFFFAOYSA-N
MW483.39 g/mol
LogP6.69
Rot. Bonds12

About 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide

3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide (PubChem CID 162579691) has the molecular formula C24H26Cl2F2N2O2 and a molecular weight of 483.39 g/mol. Its IUPAC name is 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide
PubChem CID162579691
Molecular FormulaC24H26Cl2F2N2O2
Molecular Weight483.39 g/mol
Exact Mass482.13
IUPAC Name3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide
SMILESC=CN(CC)CCOc1ccc(NC(=O)CCc2ccc(C(F)(F)C=C)cc2Cl)cc1Cl
InChIInChI=1S/C24H26Cl2F2N2O2/c1-4-24(27,28)18-9-7-17(20(25)15-18)8-12-23(31)29-19-10-11-22(21(26)16-19)32-14-13-30(5-2)6-3/h4-5,7,9-11,15-16H,1-2,6,8,12-14H2,3H3,(H,29,31)
InChIKeyRCJMTVKFVUZDQX-UHFFFAOYSA-N
XLogP6.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 10479701
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
CID 141088419
N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 59691580
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
N-[4-chloro-3-(methylamino)phenyl]-4-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 58764754
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 29456589
3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid
CID 153123978
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide?
The IUPAC name of 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide (CID 162579691) is 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide.
What is the SMILES notation for 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide?
The canonical SMILES for 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide is C=CN(CC)CCOc1ccc(NC(=O)CCc2ccc(C(F)(F)C=C)cc2Cl)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide?
The InChIKey is RCJMTVKFVUZDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F2N2O2/c1-4-24(27,28)18-9-7-17(20(25)15-18)8-12-23(31)29-19-10-11-22(21(26)16-19)32-14-13-30(5-2)6-3/h4-5,7,9-11,15-16H,1-2,6,8,12-14H2,3H3,(H,29,31).
What are the key properties of 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide?
3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide has a molecular weight of 483.39 g/mol, XLogP of 6.69, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(1,1-difluoroprop-2-enyl)phenyl]-N-[3-chloro-4-[2-[ethenyl(ethyl)amino]ethoxy]phenyl]propanamide is sourced from PubChem (CID 162579691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).