1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea

C13H20IN3O — CID 108868960

IUPAC1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
SMILESCCN(CC)CCNC(=O)Nc1ccccc1I
InChIInChI=1S/C13H20IN3O/c1-3-17(4-2)10-9-15-13(18)16-12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyACBFXGBJTXNEFW-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea

1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea (PubChem CID 108868960) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
PubChem CID108868960
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
SMILESCCN(CC)CCNC(=O)Nc1ccccc1I
InChIInChI=1S/C13H20IN3O/c1-3-17(4-2)10-9-15-13(18)16-12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18)
InChIKeyACBFXGBJTXNEFW-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 60545632
1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
2-[[(2-iodophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219830
2-[[(2-iodophenyl)carbamoylamino]methyl]butanoic acid
CID 65219782
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
CID 55898056
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea (CID 108868960) is 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea is CCN(CC)CCNC(=O)Nc1ccccc1I.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea?
The InChIKey is ACBFXGBJTXNEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-3-17(4-2)10-9-15-13(18)16-12-8-6-5-7-11(12)14/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea?
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea has a molecular weight of 361.23 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea is sourced from PubChem (CID 108868960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).