N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide

C19H20IN3O2 — CID 6998543

IUPACN-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide
SMILESC=C(NNC(=O)CCC(=O)Nc1ccc(I)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20IN3O2/c1-13-3-5-15(6-4-13)14(2)22-23-19(25)12-11-18(24)21-17-9-7-16(20)8-10-17/h3-10,22H,2,11-12H2,1H3,(H,21,24)(H,23,25)
InChIKeyPKGVEXOLBORIJL-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.61
Rot. Bonds7

About N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide

N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide (PubChem CID 6998543) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide
PubChem CID6998543
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC NameN-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide
SMILESC=C(NNC(=O)CCC(=O)Nc1ccc(I)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20IN3O2/c1-13-3-5-15(6-4-13)14(2)22-23-19(25)12-11-18(24)21-17-9-7-16(20)8-10-17/h3-10,22H,2,11-12H2,1H3,(H,21,24)(H,23,25)
InChIKeyPKGVEXOLBORIJL-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
3-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-3-oxopropanoic acid
CID 4183028
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-methylphenyl)pentanamide
CID 3662375

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide (CID 6998543) is N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide is C=C(NNC(=O)CCC(=O)Nc1ccc(I)cc1)c1ccc(C)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is PKGVEXOLBORIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2/c1-13-3-5-15(6-4-13)14(2)22-23-19(25)12-11-18(24)21-17-9-7-16(20)8-10-17/h3-10,22H,2,11-12H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide?
N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 449.29 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-[2-[1-(4-methylphenyl)ethenyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 6998543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).