3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide

C25H32F2N2O2 — CID 70145632

IUPAC3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide
SMILESCCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(F)cc2F)ccc1OC
InChIInChI=1S/C25H32F2N2O2/c1-4-14-29(15-5-2)16-6-7-20-17-22(11-12-24(20)31-3)28-25(30)13-9-19-8-10-21(26)18-23(19)27/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,28,30)
InChIKeyCHJGTOKGIDGBBR-UHFFFAOYSA-N
MW430.54 g/mol
LogP5.68
Rot. Bonds12

About 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide

3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide (PubChem CID 70145632) has the molecular formula C25H32F2N2O2 and a molecular weight of 430.54 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide
PubChem CID70145632
Molecular FormulaC25H32F2N2O2
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide
SMILESCCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(F)cc2F)ccc1OC
InChIInChI=1S/C25H32F2N2O2/c1-4-14-29(15-5-2)16-6-7-20-17-22(11-12-24(20)31-3)28-25(30)13-9-19-8-10-21(26)18-23(19)27/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,28,30)
InChIKeyCHJGTOKGIDGBBR-UHFFFAOYSA-N
XLogP5.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide
CID 70147774
(E)-3-(4-chloro-2-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70148141
(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70144072
(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide;(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70145615
3-(2,4-difluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 54229269
3-(2,4-dichlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143968
N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
CID 70145513
3-(4-bromophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 54191020
3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70144077
(E)-N-(2,4-difluorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126413661
(Z)-but-2-enedioic acid;(E)-3-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-N-(4-pyridin-4-ylphenyl)prop-2-enamide
CID 44523519
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide (CID 70145632) is 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide is CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(F)cc2F)ccc1OC.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is CHJGTOKGIDGBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O2/c1-4-14-29(15-5-2)16-6-7-20-17-22(11-12-24(20)31-3)28-25(30)13-9-19-8-10-21(26)18-23(19)27/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,28,30).
What are the key properties of 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide?
3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 430.54 g/mol, XLogP of 5.68, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 70145632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).