N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide

C14H13IN4O2 — CID 88714203

IUPACN-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide
SMILESO=C(I)NNc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H13IN4O2/c15-13(20)19-18-12-8-6-11(7-9-12)17-14(21)16-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)(H2,16,17,21)
InChIKeyYPXYQVRGUUUNKT-UHFFFAOYSA-N
MW396.19 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide

N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide (PubChem CID 88714203) has the molecular formula C14H13IN4O2 and a molecular weight of 396.19 g/mol. Its IUPAC name is N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide.

Molecular Properties

Compound NameN-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide
PubChem CID88714203
Molecular FormulaC14H13IN4O2
Molecular Weight396.19 g/mol
Exact Mass396.01
IUPAC NameN-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide
SMILESO=C(I)NNc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H13IN4O2/c15-13(20)19-18-12-8-6-11(7-9-12)17-14(21)16-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)(H2,16,17,21)
InChIKeyYPXYQVRGUUUNKT-UHFFFAOYSA-N
XLogP3.80
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-nitrophenyl)carbamoylamino]anilino]carbamoyl iodide
CID 88714573
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide
CID 22887386
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1-anilino-3-hydroxyurea
CID 2763972
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
N-(1-benzylpyridin-1-ium-4-yl)-2-oxo-2-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]acetamide
CID 20669770
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide?
The IUPAC name of N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide (CID 88714203) is N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide.
What is the SMILES notation for N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide?
The canonical SMILES for N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide is O=C(I)NNc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide?
The InChIKey is YPXYQVRGUUUNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4O2/c15-13(20)19-18-12-8-6-11(7-9-12)17-14(21)16-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)(H2,16,17,21).
What are the key properties of N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide?
N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide has a molecular weight of 396.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide is sourced from PubChem (CID 88714203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).