2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide

C24H28ClFN2O2 — CID 133248539

IUPAC2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H28ClFN2O2/c1-17(24(30)27-22-8-3-2-4-9-22)28(16-19-6-5-7-20(25)14-19)23(29)15-18-10-12-21(26)13-11-18/h5-7,10-14,17,22H,2-4,8-9,15-16H2,1H3,(H,27,30)
InChIKeyXISRNASRPMKGSE-UHFFFAOYSA-N
MW430.95 g/mol
LogP4.89
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide

2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide (PubChem CID 133248539) has the molecular formula C24H28ClFN2O2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
PubChem CID133248539
Molecular FormulaC24H28ClFN2O2
Molecular Weight430.95 g/mol
Exact Mass430.18
IUPAC Name2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H28ClFN2O2/c1-17(24(30)27-22-8-3-2-4-9-22)28(16-19-6-5-7-20(25)14-19)23(29)15-18-10-12-21(26)13-11-18/h5-7,10-14,17,22H,2-4,8-9,15-16H2,1H3,(H,27,30)
InChIKeyXISRNASRPMKGSE-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 133247358
(2S)-2-[(3-chlorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-N-cyclohexylpropanamide
CID 100552797
2-[(3-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 133263757
2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133263009
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 132947550
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132985428
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516488
2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612036
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide (CID 133248539) is 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide?
The InChIKey is XISRNASRPMKGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2O2/c1-17(24(30)27-22-8-3-2-4-9-22)28(16-19-6-5-7-20(25)14-19)23(29)15-18-10-12-21(26)13-11-18/h5-7,10-14,17,22H,2-4,8-9,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide?
2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide has a molecular weight of 430.95 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 133248539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).