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

C28H31FN2O2 — CID 146295943

IUPAC3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(Nc2ccc(OCc3ccccc3)cc2F)c1
InChIInChI=1S/C28H31FN2O2/c29-26-19-25(33-20-22-10-5-2-6-11-22)15-16-27(26)30-23-12-7-13-24(18-23)31-28(32)17-14-21-8-3-1-4-9-21/h2,5-7,10-13,15-16,18-19,21,30H,1,3-4,8-9,14,17,20H2,(H,31,32)
InChIKeyUKCHBSUHXGQXEM-UHFFFAOYSA-N
MW446.57 g/mol
LogP7.45
Rot. Bonds9

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

3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide (PubChem CID 146295943) has the molecular formula C28H31FN2O2 and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
PubChem CID146295943
Molecular FormulaC28H31FN2O2
Molecular Weight446.57 g/mol
Exact Mass446.24
IUPAC Name3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(Nc2ccc(OCc3ccccc3)cc2F)c1
InChIInChI=1S/C28H31FN2O2/c29-26-19-25(33-20-22-10-5-2-6-11-22)15-16-27(26)30-23-12-7-13-24(18-23)31-28(32)17-14-21-8-3-1-4-9-21/h2,5-7,10-13,15-16,18-19,21,30H,1,3-4,8-9,14,17,20H2,(H,31,32)
InChIKeyUKCHBSUHXGQXEM-UHFFFAOYSA-N
XLogP7.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295880
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
N-[3-(3-cyclohexylpropylsulfonyl)phenyl]-4-phenylmethoxy-2-(trifluoromethyl)aniline
CID 157327969
3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide
CID 90940134
3-cyclohexyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]propanamide
CID 17123697
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
3-cyclohexyl-N-[(2-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17093667
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide (CID 146295943) is 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1cccc(Nc2ccc(OCc3ccccc3)cc2F)c1.
What is the InChIKey of 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide?
The InChIKey is UKCHBSUHXGQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O2/c29-26-19-25(33-20-22-10-5-2-6-11-22)15-16-27(26)30-23-12-7-13-24(18-23)31-28(32)17-14-21-8-3-1-4-9-21/h2,5-7,10-13,15-16,18-19,21,30H,1,3-4,8-9,14,17,20H2,(H,31,32).
What are the key properties of 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide?
3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide has a molecular weight of 446.57 g/mol, XLogP of 7.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide is sourced from PubChem (CID 146295943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).