N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide

C17H17ClINO2 — CID 1323778

IUPACN-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C17H17ClINO2/c1-11(2)10-22-14-5-3-4-12(8-14)17(21)20-16-7-6-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyDKGYSAOXGFTPCE-UHFFFAOYSA-N
MW429.69 g/mol
LogP5.23
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide

N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide (PubChem CID 1323778) has the molecular formula C17H17ClINO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
PubChem CID1323778
Molecular FormulaC17H17ClINO2
Molecular Weight429.69 g/mol
Exact Mass429.00
IUPAC NameN-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C17H17ClINO2/c1-11(2)10-22-14-5-3-4-12(8-14)17(21)20-16-7-6-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyDKGYSAOXGFTPCE-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide 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-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-propoxybenzamide
CID 2283172
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 774907
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
CID 806873
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
CID 55620019
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
CID 119421096
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide (CID 1323778) is N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is DKGYSAOXGFTPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO2/c1-11(2)10-22-14-5-3-4-12(8-14)17(21)20-16-7-6-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide?
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 429.69 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 1323778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).