N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide

C18H20IN3O2 — CID 54812294

IUPACN-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(I)cc2)c1
InChIInChI=1S/C18H20IN3O2/c1-2-4-17(23)21-15-5-3-6-16(11-15)22-18(24)12-20-14-9-7-13(19)8-10-14/h3,5-11,20H,2,4,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYHPNPJDGBZCWCM-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.08
Rot. Bonds7

About N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide

N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54812294) has the molecular formula C18H20IN3O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
PubChem CID54812294
Molecular FormulaC18H20IN3O2
Molecular Weight437.28 g/mol
Exact Mass437.06
IUPAC NameN-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNc2ccc(I)cc2)c1
InChIInChI=1S/C18H20IN3O2/c1-2-4-17(23)21-15-5-3-6-16(11-15)22-18(24)12-20-14-9-7-13(19)8-10-14/h3,5-11,20H,2,4,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYHPNPJDGBZCWCM-UHFFFAOYSA-N
XLogP4.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide (CID 54812294) is N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CNc2ccc(I)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is YHPNPJDGBZCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O2/c1-2-4-17(23)21-15-5-3-6-16(11-15)22-18(24)12-20-14-9-7-13(19)8-10-14/h3,5-11,20H,2,4,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide has a molecular weight of 437.28 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54812294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).