4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide

C29H35FN2O2 — CID 153391618

IUPAC4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
SMILESCCCC(CC)CCC(=O)Nc1cc(Nc2ccc(OCc3ccccc3)cc2C)ccc1F
InChIInChI=1S/C29H35FN2O2/c1-4-9-22(5-2)12-17-29(33)32-28-19-24(13-15-26(28)30)31-27-16-14-25(18-21(27)3)34-20-23-10-7-6-8-11-23/h6-8,10-11,13-16,18-19,22,31H,4-5,9,12,17,20H2,1-3H3,(H,32,33)
InChIKeyNZMQQNDZOUQABT-UHFFFAOYSA-N
MW462.61 g/mol
LogP8.00
Rot. Bonds12

About 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide

4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide (PubChem CID 153391618) has the molecular formula C29H35FN2O2 and a molecular weight of 462.61 g/mol. Its IUPAC name is 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide.

Molecular Properties

Compound Name4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
PubChem CID153391618
Molecular FormulaC29H35FN2O2
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Name4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
SMILESCCCC(CC)CCC(=O)Nc1cc(Nc2ccc(OCc3ccccc3)cc2C)ccc1F
InChIInChI=1S/C29H35FN2O2/c1-4-9-22(5-2)12-17-29(33)32-28-19-24(13-15-26(28)30)31-27-16-14-25(18-21(27)3)34-20-23-10-7-6-8-11-23/h6-8,10-11,13-16,18-19,22,31H,4-5,9,12,17,20H2,1-3H3,(H,32,33)
InChIKeyNZMQQNDZOUQABT-UHFFFAOYSA-N
XLogP8.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 58.00
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
3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295880
4-ethyl-N-[3-[4-[(4-fluorophenyl)methoxy]-2-(trifluoromethyl)anilino]phenyl]heptanamide;molecular hydrogen
CID 153391721
2-(3-ethylhexylamino)-2-[3-(4-phenylmethoxy-2-propan-2-ylanilino)phenyl]acetic acid
CID 153391706
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 119289645
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide?
The IUPAC name of 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide (CID 153391618) is 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide.
What is the SMILES notation for 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide?
The canonical SMILES for 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide is CCCC(CC)CCC(=O)Nc1cc(Nc2ccc(OCc3ccccc3)cc2C)ccc1F.
What is the InChIKey of 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide?
The InChIKey is NZMQQNDZOUQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O2/c1-4-9-22(5-2)12-17-29(33)32-28-19-24(13-15-26(28)30)31-27-16-14-25(18-21(27)3)34-20-23-10-7-6-8-11-23/h6-8,10-11,13-16,18-19,22,31H,4-5,9,12,17,20H2,1-3H3,(H,32,33).
What are the key properties of 4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide?
4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide has a molecular weight of 462.61 g/mol, XLogP of 8.00, 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-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide is sourced from PubChem (CID 153391618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).