1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea

C10H12ClIN2O — CID 47202224

IUPAC1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H12ClIN2O/c1-6(2)13-10(15)14-9-4-3-7(12)5-8(9)11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyMMDMUOZIUYFCPI-UHFFFAOYSA-N
MW338.58 g/mol
LogP3.47
Rot. Bonds2

About 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea

1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea (PubChem CID 47202224) has the molecular formula C10H12ClIN2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
PubChem CID47202224
Molecular FormulaC10H12ClIN2O
Molecular Weight338.58 g/mol
Exact Mass337.97
IUPAC Name1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H12ClIN2O/c1-6(2)13-10(15)14-9-4-3-7(12)5-8(9)11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyMMDMUOZIUYFCPI-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
(2R)-2-[(2-chloro-4-iodophenyl)carbamoylamino]butanedioic acid
CID 107605873
2-[(2-chloro-4-iodophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 107605894
1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 112825620
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
3-[(2-chloro-5-iodophenyl)carbamoylamino]-2-methylbutanoic acid
CID 114260734
3-[(2-chloro-4-iodophenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107605756
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113224209
(2S,3R)-2-[(2-chloro-5-iodophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 114260735

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea (CID 47202224) is 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea?
The InChIKey is MMDMUOZIUYFCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O/c1-6(2)13-10(15)14-9-4-3-7(12)5-8(9)11/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea?
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea has a molecular weight of 338.58 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 47202224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).