(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide

C26H32ClFN2O3 — CID 100558101

IUPAC(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
SMILESCc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc(C)c1Cl
InChIInChI=1S/C26H32ClFN2O3/c1-17-13-22(14-18(2)25(17)27)33-16-24(31)30(15-20-9-7-8-12-23(20)28)19(3)26(32)29-21-10-5-4-6-11-21/h7-9,12-14,19,21H,4-6,10-11,15-16H2,1-3H3,(H,29,32)/t19-/m1/s1
InChIKeyXSGQUIACAZTRCF-LJQANCHMSA-N
MW475.00 g/mol
LogP5.34
Rot. Bonds8

About (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide

(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide (PubChem CID 100558101) has the molecular formula C26H32ClFN2O3 and a molecular weight of 475.00 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
PubChem CID100558101
Molecular FormulaC26H32ClFN2O3
Molecular Weight475.00 g/mol
Exact Mass474.21
IUPAC Name(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
SMILESCc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc(C)c1Cl
InChIInChI=1S/C26H32ClFN2O3/c1-17-13-22(14-18(2)25(17)27)33-16-24(31)30(15-20-9-7-8-12-23(20)28)19(3)26(32)29-21-10-5-4-6-11-21/h7-9,12-14,19,21H,4-6,10-11,15-16H2,1-3H3,(H,29,32)/t19-/m1/s1
InChIKeyXSGQUIACAZTRCF-LJQANCHMSA-N
XLogP5.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide with MolForge

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174937
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100559317
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 133174936
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133236106
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
(2S)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559346
N-tert-butyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133259636
2-[[2-(4-bromophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174873
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100723367
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide
CID 133174912
N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132610377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide (CID 100558101) is (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide is Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc(C)c1Cl.
What is the InChIKey of (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide?
The InChIKey is XSGQUIACAZTRCF-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32ClFN2O3/c1-17-13-22(14-18(2)25(17)27)33-16-24(31)30(15-20-9-7-8-12-23(20)28)19(3)26(32)29-21-10-5-4-6-11-21/h7-9,12-14,19,21H,4-6,10-11,15-16H2,1-3H3,(H,29,32)/t19-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide?
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide has a molecular weight of 475.00 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 100558101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).