N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide

C18H21IN2O — CID 42907096

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
SMILESCN(C)C(CNC(=O)c1cccc(I)c1)Cc1ccccc1
InChIInChI=1S/C18H21IN2O/c1-21(2)17(11-14-7-4-3-5-8-14)13-20-18(22)15-9-6-10-16(19)12-15/h3-10,12,17H,11,13H2,1-2H3,(H,20,22)
InChIKeyCVYWFTVEPSYLII-UHFFFAOYSA-N
MW408.28 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide

N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide (PubChem CID 42907096) has the molecular formula C18H21IN2O and a molecular weight of 408.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
PubChem CID42907096
Molecular FormulaC18H21IN2O
Molecular Weight408.28 g/mol
Exact Mass408.07
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
SMILESCN(C)C(CNC(=O)c1cccc(I)c1)Cc1ccccc1
InChIInChI=1S/C18H21IN2O/c1-21(2)17(11-14-7-4-3-5-8-14)13-20-18(22)15-9-6-10-16(19)12-15/h3-10,12,17H,11,13H2,1-2H3,(H,20,22)
InChIKeyCVYWFTVEPSYLII-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55450378
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide (CID 42907096) is N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide is CN(C)C(CNC(=O)c1cccc(I)c1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide?
The InChIKey is CVYWFTVEPSYLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O/c1-21(2)17(11-14-7-4-3-5-8-14)13-20-18(22)15-9-6-10-16(19)12-15/h3-10,12,17H,11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide?
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide has a molecular weight of 408.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide is sourced from PubChem (CID 42907096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).