4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide

C13H20IN3O — CID 112750715

IUPAC4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C13H20IN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKeyHWHKQXRAUJPOIY-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.95
Rot. Bonds6

About 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide

4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide (PubChem CID 112750715) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
PubChem CID112750715
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N)c(I)c1
InChIInChI=1S/C13H20IN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKeyHWHKQXRAUJPOIY-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide (CID 112750715) is 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide is CCN(CC)CCNC(=O)c1ccc(N)c(I)c1.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide?
The InChIKey is HWHKQXRAUJPOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide?
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide has a molecular weight of 361.23 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide is sourced from PubChem (CID 112750715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).