2-bromo-N-[4-(carbamoylamino)phenyl]acetamide

C9H10BrN3O2 — CID 63680454

IUPAC2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
SMILESNC(=O)Nc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C9H10BrN3O2/c10-5-8(14)12-6-1-3-7(4-2-6)13-9(11)15/h1-4H,5H2,(H,12,14)(H3,11,13,15)
InChIKeySSJBPBLFBVJWAO-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.51
Rot. Bonds3

About 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide

2-bromo-N-[4-(carbamoylamino)phenyl]acetamide (PubChem CID 63680454) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
PubChem CID63680454
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
SMILESNC(=O)Nc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C9H10BrN3O2/c10-5-8(14)12-6-1-3-7(4-2-6)13-9(11)15/h1-4H,5H2,(H,12,14)(H3,11,13,15)
InChIKeySSJBPBLFBVJWAO-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
(4-bromophenyl)urea
CID 16074
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877
2-bromo-N-(4-ethynylphenyl)acetamide
CID 147225223
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
CID 153321957
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
2-bromo-N-phenylacetamide;cyclopropane
CID 174384645
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
sodium 4-[(2-bromoacetyl)amino]benzenesulfonate
CID 20688392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide (CID 63680454) is 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide is NC(=O)Nc1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide?
The InChIKey is SSJBPBLFBVJWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-5-8(14)12-6-1-3-7(4-2-6)13-9(11)15/h1-4H,5H2,(H,12,14)(H3,11,13,15).
What are the key properties of 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide?
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide has a molecular weight of 272.10 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(carbamoylamino)phenyl]acetamide is sourced from PubChem (CID 63680454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).