N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide

C24H28FIN2O3 — CID 133174912

IUPACN-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C24H28FIN2O3/c1-17(24(30)27-20-8-3-2-4-9-20)28(15-18-7-5-6-10-22(18)25)23(29)16-31-21-13-11-19(26)12-14-21/h5-7,10-14,17,20H,2-4,8-9,15-16H2,1H3,(H,27,30)
InChIKeyNHTLUHMOOFWVDU-UHFFFAOYSA-N
MW538.40 g/mol
LogP4.68
Rot. Bonds8

About N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide

N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide (PubChem CID 133174912) has the molecular formula C24H28FIN2O3 and a molecular weight of 538.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide
PubChem CID133174912
Molecular FormulaC24H28FIN2O3
Molecular Weight538.40 g/mol
Exact Mass538.11
IUPAC NameN-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C24H28FIN2O3/c1-17(24(30)27-20-8-3-2-4-9-20)28(15-18-7-5-6-10-22(18)25)23(29)16-31-21-13-11-19(26)12-14-21/h5-7,10-14,17,20H,2-4,8-9,15-16H2,1H3,(H,27,30)
InChIKeyNHTLUHMOOFWVDU-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559346
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
2-[[2-(4-bromophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174873
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 133174936
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100558101
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
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 133174875
2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612046
(2R)-2-[(4-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100570531

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide (CID 133174912) is N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide is CC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1ccc(I)cc1.
What is the InChIKey of N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide?
The InChIKey is NHTLUHMOOFWVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FIN2O3/c1-17(24(30)27-20-8-3-2-4-9-20)28(15-18-7-5-6-10-22(18)25)23(29)16-31-21-13-11-19(26)12-14-21/h5-7,10-14,17,20H,2-4,8-9,15-16H2,1H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide?
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide has a molecular weight of 538.40 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 133174912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).