N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride

C13H20ClIN2O — CID 120652816

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1cccc(I)c1.Cl
InChIInChI=1S/C13H19IN2O.ClH/c1-3-15-10(2)9-16-13(17)8-11-5-4-6-12(14)7-11;/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1
InChIKeyOQJPRWKWQDLMJK-HNCPQSOCSA-N
MW382.67 g/mol
LogP2.37
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride (PubChem CID 120652816) has the molecular formula C13H20ClIN2O and a molecular weight of 382.67 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
PubChem CID120652816
Molecular FormulaC13H20ClIN2O
Molecular Weight382.67 g/mol
Exact Mass382.03
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1cccc(I)c1.Cl
InChIInChI=1S/C13H19IN2O.ClH/c1-3-15-10(2)9-16-13(17)8-11-5-4-6-12(14)7-11;/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1
InChIKeyOQJPRWKWQDLMJK-HNCPQSOCSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 52.37
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-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide
CID 97227819
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650056
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
CID 120650172
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride (CID 120652816) is N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride is CCN[C@H](C)CNC(=O)Cc1cccc(I)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride?
The InChIKey is OQJPRWKWQDLMJK-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19IN2O.ClH/c1-3-15-10(2)9-16-13(17)8-11-5-4-6-12(14)7-11;/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride has a molecular weight of 382.67 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120652816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).