N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide

C15H13ClINO2 — CID 1297130

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13ClINO2/c1-9-7-13(14(20-2)8-12(9)16)18-15(19)10-3-5-11(17)6-4-10/h3-8H,1-2H3,(H,18,19)
InChIKeyUVLMXZQZRQVAJA-UHFFFAOYSA-N
MW401.63 g/mol
LogP4.51
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide (PubChem CID 1297130) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
PubChem CID1297130
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13ClINO2/c1-9-7-13(14(20-2)8-12(9)16)18-15(19)10-3-5-11(17)6-4-10/h3-8H,1-2H3,(H,18,19)
InChIKeyUVLMXZQZRQVAJA-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide (CID 1297130) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide?
The InChIKey is UVLMXZQZRQVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-9-7-13(14(20-2)8-12(9)16)18-15(19)10-3-5-11(17)6-4-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 1297130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).