3-amino-5-iodo-N-(5-methylhexyl)benzamide

C14H21IN2O — CID 112750898

IUPAC3-amino-5-iodo-N-(5-methylhexyl)benzamide
SMILESCC(C)CCCCNC(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C14H21IN2O/c1-10(2)5-3-4-6-17-14(18)11-7-12(15)9-13(16)8-11/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeySYXSSXGRVKRJRJ-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-5-iodo-N-(5-methylhexyl)benzamide

3-amino-5-iodo-N-(5-methylhexyl)benzamide (PubChem CID 112750898) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-amino-5-iodo-N-(5-methylhexyl)benzamide.

Molecular Properties

Compound Name3-amino-5-iodo-N-(5-methylhexyl)benzamide
PubChem CID112750898
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name3-amino-5-iodo-N-(5-methylhexyl)benzamide
SMILESCC(C)CCCCNC(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C14H21IN2O/c1-10(2)5-3-4-6-17-14(18)11-7-12(15)9-13(16)8-11/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeySYXSSXGRVKRJRJ-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(6-methylheptyl)benzamide
CID 22753103
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
3,5-diamino-N-hexadecylbenzamide
CID 54469516
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
3,5-diamino-N-propylbenzamide
CID 20701636
3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide
CID 112750948
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
3-amino-N-(4-hydroxypentyl)-5-methylsulfonylbenzamide
CID 106118882
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-N-(5-methylhexyl)benzamide?
The IUPAC name of 3-amino-5-iodo-N-(5-methylhexyl)benzamide (CID 112750898) is 3-amino-5-iodo-N-(5-methylhexyl)benzamide.
What is the SMILES notation for 3-amino-5-iodo-N-(5-methylhexyl)benzamide?
The canonical SMILES for 3-amino-5-iodo-N-(5-methylhexyl)benzamide is CC(C)CCCCNC(=O)c1cc(N)cc(I)c1.
What is the InChIKey of 3-amino-5-iodo-N-(5-methylhexyl)benzamide?
The InChIKey is SYXSSXGRVKRJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-10(2)5-3-4-6-17-14(18)11-7-12(15)9-13(16)8-11/h7-10H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-iodo-N-(5-methylhexyl)benzamide?
3-amino-5-iodo-N-(5-methylhexyl)benzamide has a molecular weight of 360.24 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-N-(5-methylhexyl)benzamide is sourced from PubChem (CID 112750898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).