N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide

C18H17F2IN2O4 — CID 55656432

IUPACN-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1OC(F)F
InChIInChI=1S/C18H17F2IN2O4/c1-26-14-7-6-11(8-15(14)27-18(19)20)9-22-16(24)10-23-17(25)12-4-2-3-5-13(12)21/h2-8,18H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyMFOMTHQTKYGTKU-UHFFFAOYSA-N
MW490.24 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide

N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 55656432) has the molecular formula C18H17F2IN2O4 and a molecular weight of 490.24 g/mol. Its IUPAC name is N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
PubChem CID55656432
Molecular FormulaC18H17F2IN2O4
Molecular Weight490.24 g/mol
Exact Mass490.02
IUPAC NameN-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1OC(F)F
InChIInChI=1S/C18H17F2IN2O4/c1-26-14-7-6-11(8-15(14)27-18(19)20)9-22-16(24)10-23-17(25)12-4-2-3-5-13(12)21/h2-8,18H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyMFOMTHQTKYGTKU-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide 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-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
CID 52693589
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55656321
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide (CID 55656432) is N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide is COc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1OC(F)F.
What is the InChIKey of N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is MFOMTHQTKYGTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2IN2O4/c1-26-14-7-6-11(8-15(14)27-18(19)20)9-22-16(24)10-23-17(25)12-4-2-3-5-13(12)21/h2-8,18H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 490.24 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 55656432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).