N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide

C27H35FN2O2 — CID 133198748

IUPACN-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
SMILESCC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C27H35FN2O2/c1-19(2)22-15-12-21(13-16-22)14-17-26(31)30(18-23-8-4-7-11-25(23)28)20(3)27(32)29-24-9-5-6-10-24/h4,7-8,11-13,15-16,19-20,24H,5-6,9-10,14,17-18H2,1-3H3,(H,29,32)
InChIKeyYKTMKUWEECINGS-UHFFFAOYSA-N
MW438.59 g/mol
LogP5.36
Rot. Bonds9

About N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide

N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide (PubChem CID 133198748) has the molecular formula C27H35FN2O2 and a molecular weight of 438.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
PubChem CID133198748
Molecular FormulaC27H35FN2O2
Molecular Weight438.59 g/mol
Exact Mass438.27
IUPAC NameN-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
SMILESCC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C27H35FN2O2/c1-19(2)22-15-12-21(13-16-22)14-17-26(31)30(18-23-8-4-7-11-25(23)28)20(3)27(32)29-24-9-5-6-10-24/h4,7-8,11-13,15-16,19-20,24H,5-6,9-10,14,17-18H2,1-3H3,(H,29,32)
InChIKeyYKTMKUWEECINGS-UHFFFAOYSA-N
XLogP5.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100631788
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
(2S)-N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559103
(2R)-N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559113
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100505953
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100554204
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100500438

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide (CID 133198748) is N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide is CC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
The InChIKey is YKTMKUWEECINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O2/c1-19(2)22-15-12-21(13-16-22)14-17-26(31)30(18-23-8-4-7-11-25(23)28)20(3)27(32)29-24-9-5-6-10-24/h4,7-8,11-13,15-16,19-20,24H,5-6,9-10,14,17-18H2,1-3H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide has a molecular weight of 438.59 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 133198748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).