4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen

C29H36F4N2O2 — CID 153391721

IUPAC4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen
SMILESCCCC(CC)CCC(=O)Nc1cccc(Nc2ccc(OCc3ccc(F)cc3)cc2C(F)(F)F)c1.[H][H].[H][H]
InChIInChI=1S/C29H32F4N2O2.2H2/c1-3-6-20(4-2)11-16-28(36)35-24-8-5-7-23(17-24)34-27-15-14-25(18-26(27)29(31,32)33)37-19-21-9-12-22(30)13-10-21;;/h5,7-10,12-15,17-18,20,34H,3-4,6,11,16,19H2,1-2H3,(H,35,36);2*1H
InChIKeyAIACPBPWRISKQD-UHFFFAOYSA-N
MW520.61 g/mol
LogP9.20
Rot. Bonds12

About 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen

4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen (PubChem CID 153391721) has the molecular formula C29H36F4N2O2 and a molecular weight of 520.61 g/mol. Its IUPAC name is 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen.

Molecular Properties

Compound Name4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen
PubChem CID153391721
Molecular FormulaC29H36F4N2O2
Molecular Weight520.61 g/mol
Exact Mass520.27
IUPAC Name4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen
SMILESCCCC(CC)CCC(=O)Nc1cccc(Nc2ccc(OCc3ccc(F)cc3)cc2C(F)(F)F)c1.[H][H].[H][H]
InChIInChI=1S/C29H32F4N2O2.2H2/c1-3-6-20(4-2)11-16-28(36)35-24-8-5-7-23(17-24)34-27-15-14-25(18-26(27)29(31,32)33)37-19-21-9-12-22(30)13-10-21;;/h5,7-10,12-15,17-18,20,34H,3-4,6,11,16,19H2,1-2H3,(H,35,36);2*1H
InChIKeyAIACPBPWRISKQD-UHFFFAOYSA-N
XLogP9.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide
CID 153391709
4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
CID 153391618
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
2-(3-ethylhexylamino)-2-[3-(4-phenylmethoxy-2-propan-2-ylanilino)phenyl]acetic acid
CID 153391706
3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295943
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen?
The IUPAC name of 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen (CID 153391721) is 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen.
What is the SMILES notation for 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen?
The canonical SMILES for 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen is CCCC(CC)CCC(=O)Nc1cccc(Nc2ccc(OCc3ccc(F)cc3)cc2C(F)(F)F)c1.[H][H].[H][H].
What is the InChIKey of 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen?
The InChIKey is AIACPBPWRISKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F4N2O2.2H2/c1-3-6-20(4-2)11-16-28(36)35-24-8-5-7-23(17-24)34-27-15-14-25(18-26(27)29(31,32)33)37-19-21-9-12-22(30)13-10-21;;/h5,7-10,12-15,17-18,20,34H,3-4,6,11,16,19H2,1-2H3,(H,35,36);2*1H.
What are the key properties of 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen?
4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen has a molecular weight of 520.61 g/mol, XLogP of 9.20, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen is sourced from PubChem (CID 153391721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).