N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide

C18H21IN2O — CID 55685027

IUPACN-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C18H21IN2O/c1-4-21(5-2)15-11-9-14(10-12-15)20-18(22)16-8-6-7-13(3)17(16)19/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyIVXPPUFDDQEQFK-UHFFFAOYSA-N
MW408.28 g/mol
LogP4.70
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide

N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide (PubChem CID 55685027) has the molecular formula C18H21IN2O and a molecular weight of 408.28 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
PubChem CID55685027
Molecular FormulaC18H21IN2O
Molecular Weight408.28 g/mol
Exact Mass408.07
IUPAC NameN-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C)c2I)cc1
InChIInChI=1S/C18H21IN2O/c1-4-21(5-2)15-11-9-14(10-12-15)20-18(22)16-8-6-7-13(3)17(16)19/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyIVXPPUFDDQEQFK-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
3-amino-N-[4-(diethylamino)phenyl]-2-methylbenzamide
CID 28723308
2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 55690697
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
methyl 2-[[4-[(2-iodo-3-methylbenzoyl)amino]benzoyl]amino]acetate
CID 38930563
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1295574
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide (CID 55685027) is N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide is CCN(CC)c1ccc(NC(=O)c2cccc(C)c2I)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide?
The InChIKey is IVXPPUFDDQEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O/c1-4-21(5-2)15-11-9-14(10-12-15)20-18(22)16-8-6-7-13(3)17(16)19/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide?
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide has a molecular weight of 408.28 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 55685027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).