N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide

C16H17IN2O — CID 31416592

IUPACN-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
SMILESCN(C)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IN2O/c1-19(2)11-12-3-9-15(10-4-12)18-16(20)13-5-7-14(17)8-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyGDTBBBKQIHAGPE-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.61
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide

N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide (PubChem CID 31416592) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
PubChem CID31416592
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
SMILESCN(C)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IN2O/c1-19(2)11-12-3-9-15(10-4-12)18-16(20)13-5-7-14(17)8-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyGDTBBBKQIHAGPE-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.61
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-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
CID 142775988
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-[(dimethylamino)methyl]-N-(4-hydroxy-3-nitrophenyl)benzamide
CID 86800547
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide (CID 31416592) is N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide is CN(C)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide?
The InChIKey is GDTBBBKQIHAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-19(2)11-12-3-9-15(10-4-12)18-16(20)13-5-7-14(17)8-6-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide?
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide has a molecular weight of 380.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide is sourced from PubChem (CID 31416592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).