2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide

C18H20ClIN2O — CID 41378344

IUPAC2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
SMILESCC(C)[C@H](NCC(=O)Nc1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClIN2O/c1-12(2)18(13-7-9-14(19)10-8-13)21-11-17(23)22-16-6-4-3-5-15(16)20/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyLCZFBBVXNCSOMJ-SFHVURJKSA-N
MW442.73 g/mol
LogP4.87
Rot. Bonds6

About 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide

2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide (PubChem CID 41378344) has the molecular formula C18H20ClIN2O and a molecular weight of 442.73 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
PubChem CID41378344
Molecular FormulaC18H20ClIN2O
Molecular Weight442.73 g/mol
Exact Mass442.03
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
SMILESCC(C)[C@H](NCC(=O)Nc1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClIN2O/c1-12(2)18(13-7-9-14(19)10-8-13)21-11-17(23)22-16-6-4-3-5-15(16)20/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyLCZFBBVXNCSOMJ-SFHVURJKSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131471
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 16598723
N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336592
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 9129529

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide (CID 41378344) is 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide is CC(C)[C@H](NCC(=O)Nc1ccccc1I)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide?
The InChIKey is LCZFBBVXNCSOMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20ClIN2O/c1-12(2)18(13-7-9-14(19)10-8-13)21-11-17(23)22-16-6-4-3-5-15(16)20/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide?
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide has a molecular weight of 442.73 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 41378344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).