N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide

C17H15IN2O — CID 67494981

IUPACN-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(I)cc1)c1cccc(C#N)c1
InChIInChI=1S/C17H15IN2O/c1-2-17(21)20(12-13-6-8-15(18)9-7-13)16-5-3-4-14(10-16)11-19/h3-10H,2,12H2,1H3
InChIKeyDIRNHYCHAMUMIQ-UHFFFAOYSA-N
MW390.22 g/mol
LogP4.11
Rot. Bonds4

About N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide

N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide (PubChem CID 67494981) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide
PubChem CID67494981
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC NameN-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(I)cc1)c1cccc(C#N)c1
InChIInChI=1S/C17H15IN2O/c1-2-17(21)20(12-13-6-8-15(18)9-7-13)16-5-3-4-14(10-16)11-19/h3-10H,2,12H2,1H3
InChIKeyDIRNHYCHAMUMIQ-UHFFFAOYSA-N
XLogP4.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 66848441
N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-(3-cyanophenyl)propanamide
CID 66848446
3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
CID 65476778
4-[(3-cyano-N-methylanilino)methyl]benzoic acid
CID 62981168
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
ethyl 2-(N-benzyl-3-cyanoanilino)propanoate
CID 142029964
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-(3-cyano-5-fluorophenyl)-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propanamide
CID 66853662
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
2-[3-cyano-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 22135068

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide (CID 67494981) is N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide is CCC(=O)N(Cc1ccc(I)cc1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide?
The InChIKey is DIRNHYCHAMUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O/c1-2-17(21)20(12-13-6-8-15(18)9-7-13)16-5-3-4-14(10-16)11-19/h3-10H,2,12H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide?
N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide has a molecular weight of 390.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[(4-iodophenyl)methyl]propanamide is sourced from PubChem (CID 67494981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).