1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea

C15H14IN3O3 — CID 5186503

IUPAC1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1I
InChIInChI=1S/C15H14IN3O3/c1-22-13-8-7-10(9-12(13)16)14(20)18-19-15(21)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyPPEWHZRPGFIMCK-UHFFFAOYSA-N
MW411.20 g/mol
LogP2.77
Rot. Bonds3

About 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea

1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea (PubChem CID 5186503) has the molecular formula C15H14IN3O3 and a molecular weight of 411.20 g/mol. Its IUPAC name is 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
PubChem CID5186503
Molecular FormulaC15H14IN3O3
Molecular Weight411.20 g/mol
Exact Mass411.01
IUPAC Name1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1I
InChIInChI=1S/C15H14IN3O3/c1-22-13-8-7-10(9-12(13)16)14(20)18-19-15(21)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyPPEWHZRPGFIMCK-UHFFFAOYSA-N
XLogP2.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
CID 1011551
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6118091
3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164546
N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-4-phenylbenzamide
CID 4636463
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926
2-bromo-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 5087657
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide
CID 4949371
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea?
The IUPAC name of 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea (CID 5186503) is 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea is COc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1I.
What is the InChIKey of 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea?
The InChIKey is PPEWHZRPGFIMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O3/c1-22-13-8-7-10(9-12(13)16)14(20)18-19-15(21)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea?
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea has a molecular weight of 411.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea is sourced from PubChem (CID 5186503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).