2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate

C10H12BrN3O3 — CID 83203569

IUPAC2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H12BrN3O3/c11-6-1-2-8(12)7(5-6)9(15)14-3-4-17-10(13)16/h1-2,5H,3-4,12H2,(H2,13,16)(H,14,15)
InChIKeyWRTFCSRTUPULOC-UHFFFAOYSA-N
MW302.13 g/mol
LogP0.86
Rot. Bonds4

About 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate

2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate (PubChem CID 83203569) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
PubChem CID83203569
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H12BrN3O3/c11-6-1-2-8(12)7(5-6)9(15)14-3-4-17-10(13)16/h1-2,5H,3-4,12H2,(H2,13,16)(H,14,15)
InChIKeyWRTFCSRTUPULOC-UHFFFAOYSA-N
XLogP0.86
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate (CID 83203569) is 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate?
The InChIKey is WRTFCSRTUPULOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-6-1-2-8(12)7(5-6)9(15)14-3-4-17-10(13)16/h1-2,5H,3-4,12H2,(H2,13,16)(H,14,15).
What are the key properties of 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate?
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate has a molecular weight of 302.13 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83203569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).