benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate

C15H15BrN2O4 — CID 108571926

IUPACbenzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccc(Br)o1)OCc1ccccc1
InChIInChI=1S/C15H15BrN2O4/c16-13-7-6-12(22-13)14(19)17-8-9-18-15(20)21-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,19)(H,18,20)
InChIKeyJISFSRHPJCQOIZ-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.70
Rot. Bonds6

About benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate

benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate (PubChem CID 108571926) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
PubChem CID108571926
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Namebenzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
SMILESO=C(NCCNC(=O)c1ccc(Br)o1)OCc1ccccc1
InChIInChI=1S/C15H15BrN2O4/c16-13-7-6-12(22-13)14(19)17-8-9-18-15(20)21-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,19)(H,18,20)
InChIKeyJISFSRHPJCQOIZ-UHFFFAOYSA-N
XLogP2.70
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate (CID 108571926) is benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate is O=C(NCCNC(=O)c1ccc(Br)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is JISFSRHPJCQOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-13-7-6-12(22-13)14(19)17-8-9-18-15(20)21-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,19)(H,18,20).
What are the key properties of benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate?
benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 367.20 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).