N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide

C18H21IN2O — CID 100527914

IUPACN-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
SMILESCc1ccc(N(C)CCNC(=O)c2ccc(C)cc2I)cc1
InChIInChI=1S/C18H21IN2O/c1-13-4-7-15(8-5-13)21(3)11-10-20-18(22)16-9-6-14(2)12-17(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeySVOFZBPDQDTTCI-UHFFFAOYSA-N
MW408.28 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide

N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide (PubChem CID 100527914) has the molecular formula C18H21IN2O and a molecular weight of 408.28 g/mol. Its IUPAC name is N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
PubChem CID100527914
Molecular FormulaC18H21IN2O
Molecular Weight408.28 g/mol
Exact Mass408.07
IUPAC NameN-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
SMILESCc1ccc(N(C)CCNC(=O)c2ccc(C)cc2I)cc1
InChIInChI=1S/C18H21IN2O/c1-13-4-7-15(8-5-13)21(3)11-10-20-18(22)16-9-6-14(2)12-17(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeySVOFZBPDQDTTCI-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide
CID 100527983
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
CID 100533680
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
CID 100528576
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-iodo-4-methylbenzamide
CID 100523818

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide?
The IUPAC name of N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide (CID 100527914) is N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide?
The canonical SMILES for N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide is Cc1ccc(N(C)CCNC(=O)c2ccc(C)cc2I)cc1.
What is the InChIKey of N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide?
The InChIKey is SVOFZBPDQDTTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O/c1-13-4-7-15(8-5-13)21(3)11-10-20-18(22)16-9-6-14(2)12-17(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide?
N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide has a molecular weight of 408.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100527914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).