3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide

C16H15ClINO — CID 19630910

IUPAC3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl
InChIInChI=1S/C16H15ClINO/c1-9-4-5-12(8-13(9)17)16(20)19-15-7-10(2)14(18)6-11(15)3/h4-8H,1-3H3,(H,19,20)
InChIKeyCJFCZXSYXBDIQU-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.12
Rot. Bonds2

About 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide

3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide (PubChem CID 19630910) has the molecular formula C16H15ClINO and a molecular weight of 399.66 g/mol. Its IUPAC name is 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
PubChem CID19630910
Molecular FormulaC16H15ClINO
Molecular Weight399.66 g/mol
Exact Mass398.99
IUPAC Name3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl
InChIInChI=1S/C16H15ClINO/c1-9-4-5-12(8-13(9)17)16(20)19-15-7-10(2)14(18)6-11(15)3/h4-8H,1-3H3,(H,19,20)
InChIKeyCJFCZXSYXBDIQU-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide 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-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
CID 1297117
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide (CID 19630910) is 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl.
What is the InChIKey of 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide?
The InChIKey is CJFCZXSYXBDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO/c1-9-4-5-12(8-13(9)17)16(20)19-15-7-10(2)14(18)6-11(15)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide?
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide has a molecular weight of 399.66 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 19630910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).