3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide

C18H26F2N2O — CID 173222725

IUPAC3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide
SMILESC[C@@H](CNc1cc(F)ccc1F)NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H26F2N2O/c1-13(12-21-17-11-15(19)8-9-16(17)20)22-18(23)10-7-14-5-3-2-4-6-14/h8-9,11,13-14,21H,2-7,10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyGFQSPFLLXXYRNO-ZDUSSCGKSA-N
MW324.42 g/mol
LogP4.24
Rot. Bonds7

About 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide

3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide (PubChem CID 173222725) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide
PubChem CID173222725
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide
SMILESC[C@@H](CNc1cc(F)ccc1F)NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H26F2N2O/c1-13(12-21-17-11-15(19)8-9-16(17)20)22-18(23)10-7-14-5-3-2-4-6-14/h8-9,11,13-14,21H,2-7,10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyGFQSPFLLXXYRNO-ZDUSSCGKSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
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3-cyclohexyl-N-[1-(furan-3-yl)propan-2-yl]propanamide
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(2S)-2-(3-cyclohexylpropanoylamino)-3-(3-fluorophenyl)propanamide
CID 173142825
N-[4-[(2-chloro-4-fluorophenyl)sulfinylamino]butyl]-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
CID 143425510
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
2-amino-3-(2,5-difluoroanilino)propanamide
CID 103232837
2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
2-amino-3-(2,5-difluoroanilino)propanoic acid
CID 103232824

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide (CID 173222725) is 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide is C[C@@H](CNc1cc(F)ccc1F)NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide?
The InChIKey is GFQSPFLLXXYRNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-13(12-21-17-11-15(19)8-9-16(17)20)22-18(23)10-7-14-5-3-2-4-6-14/h8-9,11,13-14,21H,2-7,10,12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide?
3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(2S)-1-(2,5-difluoroanilino)propan-2-yl]propanamide is sourced from PubChem (CID 173222725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).