3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide

C29H33FN2O2 — CID 146295880

IUPAC3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
SMILESCc1cc(OCc2ccccc2)ccc1Nc1ccc(F)c(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C29H33FN2O2/c1-21-18-25(34-20-23-10-6-3-7-11-23)14-16-27(21)31-24-13-15-26(30)28(19-24)32-29(33)17-12-22-8-4-2-5-9-22/h3,6-7,10-11,13-16,18-19,22,31H,2,4-5,8-9,12,17,20H2,1H3,(H,32,33)
InChIKeyVQFWICQSWOADGP-UHFFFAOYSA-N
MW460.59 g/mol
LogP7.76
Rot. Bonds9

About 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide

3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide (PubChem CID 146295880) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
PubChem CID146295880
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Name3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
SMILESCc1cc(OCc2ccccc2)ccc1Nc1ccc(F)c(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C29H33FN2O2/c1-21-18-25(34-20-23-10-6-3-7-11-23)14-16-27(21)31-24-13-15-26(30)28(19-24)32-29(33)17-12-22-8-4-2-5-9-22/h3,6-7,10-11,13-16,18-19,22,31H,2,4-5,8-9,12,17,20H2,1H3,(H,32,33)
InChIKeyVQFWICQSWOADGP-UHFFFAOYSA-N
XLogP7.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295943
4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
CID 153391618
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
4-ethyl-N-[2-fluoro-5-[4-[(4-fluorophenyl)methoxy]-2-methylanilino]phenyl]heptanamide
CID 153391709
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011
3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline
CID 160740201
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
CID 54862921

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide (CID 146295880) is 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide is Cc1cc(OCc2ccccc2)ccc1Nc1ccc(F)c(NC(=O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide?
The InChIKey is VQFWICQSWOADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-21-18-25(34-20-23-10-6-3-7-11-23)14-16-27(21)31-24-13-15-26(30)28(19-24)32-29(33)17-12-22-8-4-2-5-9-22/h3,6-7,10-11,13-16,18-19,22,31H,2,4-5,8-9,12,17,20H2,1H3,(H,32,33).
What are the key properties of 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide?
3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide has a molecular weight of 460.59 g/mol, XLogP of 7.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide is sourced from PubChem (CID 146295880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).