N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide

C17H19IN2O — CID 90742414

IUPACN'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide
SMILESCc1cc(I)ccc1NN(C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C17H19IN2O/c1-12(2)20(17(21)14-7-5-4-6-8-14)19-16-10-9-15(18)11-13(16)3/h4-12,19H,1-3H3
InChIKeyDZHMLXZITSOHHY-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.48
Rot. Bonds4

About N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide

N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide (PubChem CID 90742414) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide
PubChem CID90742414
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide
SMILESCc1cc(I)ccc1NN(C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C17H19IN2O/c1-12(2)20(17(21)14-7-5-4-6-8-14)19-16-10-9-15(18)11-13(16)3/h4-12,19H,1-3H3
InChIKeyDZHMLXZITSOHHY-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
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1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
CID 47186088
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 55937923
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108516418
1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903190
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide?
The IUPAC name of N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide (CID 90742414) is N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide is Cc1cc(I)ccc1NN(C(=O)c1ccccc1)C(C)C.
What is the InChIKey of N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide?
The InChIKey is DZHMLXZITSOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-12(2)20(17(21)14-7-5-4-6-8-14)19-16-10-9-15(18)11-13(16)3/h4-12,19H,1-3H3.
What are the key properties of N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide?
N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide has a molecular weight of 394.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide is sourced from PubChem (CID 90742414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).