3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide

C16H15ClINO2 — CID 17313445

IUPAC3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1Cl
InChIInChI=1S/C16H15ClINO2/c1-9-6-12(7-10(2)15(9)18)19-16(20)11-4-5-14(21-3)13(17)8-11/h4-8H,1-3H3,(H,19,20)
InChIKeyJEHGNUOGAQUGTK-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.82
Rot. Bonds3

About 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide

3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide (PubChem CID 17313445) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
PubChem CID17313445
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1Cl
InChIInChI=1S/C16H15ClINO2/c1-9-6-12(7-10(2)15(9)18)19-16(20)11-4-5-14(21-3)13(17)8-11/h4-8H,1-3H3,(H,19,20)
InChIKeyJEHGNUOGAQUGTK-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.82
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

3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-4-methoxybenzamide
CID 1296785
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide (CID 17313445) is 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide?
The InChIKey is JEHGNUOGAQUGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-9-6-12(7-10(2)15(9)18)19-16(20)11-4-5-14(21-3)13(17)8-11/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide?
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide has a molecular weight of 415.66 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 17313445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).