1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea

C16H17IN2O — CID 11176437

IUPAC1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H17IN2O/c1-12(2)19(15-11-7-6-10-14(15)17)16(20)18-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,20)
InChIKeyCPGGEDPGHQTUDH-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea

1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea (PubChem CID 11176437) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea
PubChem CID11176437
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H17IN2O/c1-12(2)19(15-11-7-6-10-14(15)17)16(20)18-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,20)
InChIKeyCPGGEDPGHQTUDH-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea
CID 1214873
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
1-chloro-1-methyl-3-phenylurea
CID 173170547
1-(N-acetyl-2-iodoanilino)ethanesulfinate
CID 174975615
[(2S)-1-anilino-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509622
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
1,1-bis(methylamino)-3-phenylurea
CID 54267679
N-(2-iodophenyl)-N,2-dimethylpropanamide
CID 11483497
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea?
The IUPAC name of 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea (CID 11176437) is 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea?
The canonical SMILES for 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea is CC(C)N(C(=O)Nc1ccccc1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea?
The InChIKey is CPGGEDPGHQTUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-12(2)19(15-11-7-6-10-14(15)17)16(20)18-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,20).
What are the key properties of 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea?
1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea has a molecular weight of 380.23 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 11176437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).