4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide

C29H34F2N2O2 — CID 153391709

IUPAC4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide
SMILESCCCC(CC)CCC(=O)Nc1cc(Nc2ccc(OCc3ccc(F)cc3)cc2C)ccc1F
InChIInChI=1S/C29H34F2N2O2/c1-4-6-21(5-2)9-16-29(34)33-28-18-24(12-14-26(28)31)32-27-15-13-25(17-20(27)3)35-19-22-7-10-23(30)11-8-22/h7-8,10-15,17-18,21,32H,4-6,9,16,19H2,1-3H3,(H,33,34)
InChIKeyCVLJEZWBCLXXGS-UHFFFAOYSA-N
MW480.60 g/mol
LogP8.14
Rot. Bonds12

About 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide

4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide (PubChem CID 153391709) has the molecular formula C29H34F2N2O2 and a molecular weight of 480.60 g/mol. Its IUPAC name is 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide.

Molecular Properties

Compound Name4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide
PubChem CID153391709
Molecular FormulaC29H34F2N2O2
Molecular Weight480.60 g/mol
Exact Mass480.26
IUPAC Name4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide
SMILESCCCC(CC)CCC(=O)Nc1cc(Nc2ccc(OCc3ccc(F)cc3)cc2C)ccc1F
InChIInChI=1S/C29H34F2N2O2/c1-4-6-21(5-2)9-16-29(34)33-28-18-24(12-14-26(28)31)32-27-15-13-25(17-20(27)3)35-19-22-7-10-23(30)11-8-22/h7-8,10-15,17-18,21,32H,4-6,9,16,19H2,1-3H3,(H,33,34)
InChIKeyCVLJEZWBCLXXGS-UHFFFAOYSA-N
XLogP8.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
CID 153391618
4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen
CID 153391721
3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295880
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
2-(3-ethylhexylamino)-2-[3-(4-phenylmethoxy-2-propan-2-ylanilino)phenyl]acetic acid
CID 153391706
propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
CID 25030471
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide?
The IUPAC name of 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide (CID 153391709) is 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide.
What is the SMILES notation for 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide?
The canonical SMILES for 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide is CCCC(CC)CCC(=O)Nc1cc(Nc2ccc(OCc3ccc(F)cc3)cc2C)ccc1F.
What is the InChIKey of 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide?
The InChIKey is CVLJEZWBCLXXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N2O2/c1-4-6-21(5-2)9-16-29(34)33-28-18-24(12-14-26(28)31)32-27-15-13-25(17-20(27)3)35-19-22-7-10-23(30)11-8-22/h7-8,10-15,17-18,21,32H,4-6,9,16,19H2,1-3H3,(H,33,34).
What are the key properties of 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide?
4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide has a molecular weight of 480.60 g/mol, XLogP of 8.14, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide is sourced from PubChem (CID 153391709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).