(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide

C16H14IN3O — CID 7492581

IUPAC(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
SMILESC[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H14IN3O/c1-11(19-14-8-4-13(17)5-9-14)16(21)20-15-6-2-12(10-18)3-7-15/h2-9,11,19H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyKYYOGXZZGJKFPB-NSHDSACASA-N
MW391.21 g/mol
LogP3.60
Rot. Bonds4

About (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide

(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide (PubChem CID 7492581) has the molecular formula C16H14IN3O and a molecular weight of 391.21 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
PubChem CID7492581
Molecular FormulaC16H14IN3O
Molecular Weight391.21 g/mol
Exact Mass391.02
IUPAC Name(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
SMILESC[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H14IN3O/c1-11(19-14-8-4-13(17)5-9-14)16(21)20-15-6-2-12(10-18)3-7-15/h2-9,11,19H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyKYYOGXZZGJKFPB-NSHDSACASA-N
XLogP3.60
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide 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

2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
methyl 2-(4-cyanoanilino)propanoate
CID 43515132
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 43086047
(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 28835398
N-(4-cyanophenyl)-2-propan-2-yloxypropanamide
CID 43824380
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
4-bromo-N-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]benzamide
CID 2448257
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide (CID 7492581) is (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide is C[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide?
The InChIKey is KYYOGXZZGJKFPB-NSHDSACASA-N. The full InChI is InChI=1S/C16H14IN3O/c1-11(19-14-8-4-13(17)5-9-14)16(21)20-15-6-2-12(10-18)3-7-15/h2-9,11,19H,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide?
(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide has a molecular weight of 391.21 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide is sourced from PubChem (CID 7492581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).