1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea

C15H13ClIN3O3 — CID 1011551

IUPAC1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C15H13ClIN3O3/c1-23-13-7-2-9(8-12(13)17)14(21)19-20-15(22)18-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyWRFWKDZDRNYMBH-UHFFFAOYSA-N
MW445.64 g/mol
LogP3.42
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea (PubChem CID 1011551) has the molecular formula C15H13ClIN3O3 and a molecular weight of 445.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
PubChem CID1011551
Molecular FormulaC15H13ClIN3O3
Molecular Weight445.64 g/mol
Exact Mass444.97
IUPAC Name1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C15H13ClIN3O3/c1-23-13-7-2-9(8-12(13)17)14(21)19-20-15(22)18-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyWRFWKDZDRNYMBH-UHFFFAOYSA-N
XLogP3.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 53.42
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-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
CID 4633339
N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
CID 39714334
1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
CID 4157559
1-(4-chlorophenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 3309712
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea (CID 1011551) is 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea is COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1I.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea?
The InChIKey is WRFWKDZDRNYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3O3/c1-23-13-7-2-9(8-12(13)17)14(21)19-20-15(22)18-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea?
1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea has a molecular weight of 445.64 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea is sourced from PubChem (CID 1011551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).