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

C16H16INO — CID 47313955

IUPACN-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(I)cc2)c1C
InChIInChI=1S/C16H16INO/c1-11-5-4-6-15(12(11)2)18(3)16(19)13-7-9-14(17)10-8-13/h4-10H,1-3H3
InChIKeyKESDQCKDEPCVRB-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.18
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide (PubChem CID 47313955) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
PubChem CID47313955
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(I)cc2)c1C
InChIInChI=1S/C16H16INO/c1-11-5-4-6-15(12(11)2)18(3)16(19)13-7-9-14(17)10-8-13/h4-10H,1-3H3
InChIKeyKESDQCKDEPCVRB-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide (CID 47313955) is N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide is Cc1cccc(N(C)C(=O)c2ccc(I)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide?
The InChIKey is KESDQCKDEPCVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11-5-4-6-15(12(11)2)18(3)16(19)13-7-9-14(17)10-8-13/h4-10H,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide?
N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide has a molecular weight of 365.21 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 47313955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).