3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide

C15H15IN2O — CID 43707949

IUPAC3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1N
InChIInChI=1S/C15H15IN2O/c1-9-4-6-12(8-13(9)16)18-15(19)11-5-3-10(2)14(17)7-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKVTIGVVRISIDCA-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.74
Rot. Bonds2

About 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide

3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide (PubChem CID 43707949) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
PubChem CID43707949
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1N
InChIInChI=1S/C15H15IN2O/c1-9-4-6-12(8-13(9)16)18-15(19)11-5-3-10(2)14(17)7-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKVTIGVVRISIDCA-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide (CID 43707949) is 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide?
The InChIKey is KVTIGVVRISIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-9-4-6-12(8-13(9)16)18-15(19)11-5-3-10(2)14(17)7-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide?
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide has a molecular weight of 366.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 43707949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).