4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide

C14H21IN2O — CID 112750872

IUPAC4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C14H21IN2O/c1-4-14(5-2,6-3)17-13(18)10-7-8-12(16)11(15)9-10/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyYFZXYIRPMJOOQC-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.57
Rot. Bonds5

About 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide

4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide (PubChem CID 112750872) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide
PubChem CID112750872
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C14H21IN2O/c1-4-14(5-2,6-3)17-13(18)10-7-8-12(16)11(15)9-10/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyYFZXYIRPMJOOQC-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.57
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-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
CID 65037878
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide
CID 65041341
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
N-(3-ethylpentan-3-yl)-4-(methylamino)benzamide
CID 65042626
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
CID 115354227

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide?
The IUPAC name of 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide (CID 112750872) is 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide.
What is the SMILES notation for 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide?
The canonical SMILES for 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide is CCC(CC)(CC)NC(=O)c1ccc(N)c(I)c1.
What is the InChIKey of 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide?
The InChIKey is YFZXYIRPMJOOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-4-14(5-2,6-3)17-13(18)10-7-8-12(16)11(15)9-10/h7-9H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide?
4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide has a molecular weight of 360.24 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide is sourced from PubChem (CID 112750872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).