[4-(carbamoylamino)phenyl]methyliodanuidylformamide

C9H11IN3O2- — CID 163459688

IUPAC[4-(carbamoylamino)phenyl]methyliodanuidylformamide
SMILESNC(=O)Nc1ccc(C[I-]C(N)=O)cc1
InChIInChI=1S/C9H11IN3O2/c11-8(14)10-5-6-1-3-7(4-2-6)13-9(12)15/h1-4H,5H2,(H2,11,14)(H3,12,13,15)/q-1
InChIKeyGICLBBSGAQBQEX-UHFFFAOYSA-N
MW320.11 g/mol
LogP-2.16
Rot. Bonds4

About [4-(carbamoylamino)phenyl]methyliodanuidylformamide

[4-(carbamoylamino)phenyl]methyliodanuidylformamide (PubChem CID 163459688) has the molecular formula C9H11IN3O2- and a molecular weight of 320.11 g/mol. Its IUPAC name is [4-(carbamoylamino)phenyl]methyliodanuidylformamide.

Molecular Properties

Compound Name[4-(carbamoylamino)phenyl]methyliodanuidylformamide
PubChem CID163459688
Molecular FormulaC9H11IN3O2-
Molecular Weight320.11 g/mol
Exact Mass319.99
IUPAC Name[4-(carbamoylamino)phenyl]methyliodanuidylformamide
SMILESNC(=O)Nc1ccc(C[I-]C(N)=O)cc1
InChIInChI=1S/C9H11IN3O2/c11-8(14)10-5-6-1-3-7(4-2-6)13-9(12)15/h1-4H,5H2,(H2,11,14)(H3,12,13,15)/q-1
InChIKeyGICLBBSGAQBQEX-UHFFFAOYSA-N
XLogP-2.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-chloroethyl)phenyl]urea
CID 70156688
[4-(carbamoylamino)phenyl]methanesulfonyl chloride
CID 117374915
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
(4-bromophenyl)urea
CID 16074
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
CID 177002479
[4-[(2-aminophenyl)methyl]phenyl]urea
CID 139902177
[4-(benzylamino)phenyl]urea
CID 43744943
[4-(propylamino)phenyl]urea
CID 43745026
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
molecular hydrogen;phenylurea
CID 143657584

Frequently Asked Questions

What is the IUPAC name of [4-(carbamoylamino)phenyl]methyliodanuidylformamide?
The IUPAC name of [4-(carbamoylamino)phenyl]methyliodanuidylformamide (CID 163459688) is [4-(carbamoylamino)phenyl]methyliodanuidylformamide.
What is the SMILES notation for [4-(carbamoylamino)phenyl]methyliodanuidylformamide?
The canonical SMILES for [4-(carbamoylamino)phenyl]methyliodanuidylformamide is NC(=O)Nc1ccc(C[I-]C(N)=O)cc1.
What is the InChIKey of [4-(carbamoylamino)phenyl]methyliodanuidylformamide?
The InChIKey is GICLBBSGAQBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN3O2/c11-8(14)10-5-6-1-3-7(4-2-6)13-9(12)15/h1-4H,5H2,(H2,11,14)(H3,12,13,15)/q-1.
What are the key properties of [4-(carbamoylamino)phenyl]methyliodanuidylformamide?
[4-(carbamoylamino)phenyl]methyliodanuidylformamide has a molecular weight of 320.11 g/mol, XLogP of -2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbamoylamino)phenyl]methyliodanuidylformamide is sourced from PubChem (CID 163459688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).