4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide

C16H15IN4O3 — CID 158443385

IUPAC4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NNC(=O)c2ccc(C(N)=O)cc2)ccc1I
InChIInChI=1S/C16H15IN4O3/c1-9-8-12(6-7-13(9)17)19-16(24)21-20-15(23)11-4-2-10(3-5-11)14(18)22/h2-8H,1H3,(H2,18,22)(H,20,23)(H2,19,21,24)
InChIKeyHDBZRKVMRCHMOX-UHFFFAOYSA-N
MW438.23 g/mol
LogP2.17
Rot. Bonds3

About 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide

4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide (PubChem CID 158443385) has the molecular formula C16H15IN4O3 and a molecular weight of 438.23 g/mol. Its IUPAC name is 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide.

Molecular Properties

Compound Name4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide
PubChem CID158443385
Molecular FormulaC16H15IN4O3
Molecular Weight438.23 g/mol
Exact Mass438.02
IUPAC Name4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NNC(=O)c2ccc(C(N)=O)cc2)ccc1I
InChIInChI=1S/C16H15IN4O3/c1-9-8-12(6-7-13(9)17)19-16(24)21-20-15(23)11-4-2-10(3-5-11)14(18)22/h2-8H,1H3,(H2,18,22)(H,20,23)(H2,19,21,24)
InChIKeyHDBZRKVMRCHMOX-UHFFFAOYSA-N
XLogP2.17
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 52.17
H-Bond Donors ≤ 54
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

4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
ethyl 4-[[(4-hydroxybenzoyl)amino]carbamoylamino]benzoate
CID 134119432
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
CID 139830477
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide?
The IUPAC name of 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide (CID 158443385) is 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide.
What is the SMILES notation for 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide?
The canonical SMILES for 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide is Cc1cc(NC(=O)NNC(=O)c2ccc(C(N)=O)cc2)ccc1I.
What is the InChIKey of 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide?
The InChIKey is HDBZRKVMRCHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O3/c1-9-8-12(6-7-13(9)17)19-16(24)21-20-15(23)11-4-2-10(3-5-11)14(18)22/h2-8H,1H3,(H2,18,22)(H,20,23)(H2,19,21,24).
What are the key properties of 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide?
4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide has a molecular weight of 438.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-iodo-3-methylphenyl)carbamoylamino]carbamoyl]benzamide is sourced from PubChem (CID 158443385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).