N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

C16H17Cl2N3O2 — CID 97156477

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCn1ccnc1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C16H17Cl2N3O2/c1-21-7-6-19-16(21)15(10-2-3-10)20-14(22)9-23-13-5-4-11(17)8-12(13)18/h4-8,10,15H,2-3,9H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyZNMCFJFPIHQFKI-HNNXBMFYSA-N
MW354.24 g/mol
LogP3.37
Rot. Bonds6

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 97156477) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID97156477
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCn1ccnc1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C16H17Cl2N3O2/c1-21-7-6-19-16(21)15(10-2-3-10)20-14(22)9-23-13-5-4-11(17)8-12(13)18/h4-8,10,15H,2-3,9H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyZNMCFJFPIHQFKI-HNNXBMFYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 97156477) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is Cn1ccnc1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is ZNMCFJFPIHQFKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-21-7-6-19-16(21)15(10-2-3-10)20-14(22)9-23-13-5-4-11(17)8-12(13)18/h4-8,10,15H,2-3,9H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 354.24 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 97156477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).