[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate

C16H10Br4N4O4 — CID 51064340

IUPAC[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate
SMILESO=C(Nc1ccc(Br)cc1Br)O/N=C/C=N/OC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H10Br4N4O4/c17-9-1-3-13(11(19)7-9)23-15(25)27-21-5-6-22-28-16(26)24-14-4-2-10(18)8-12(14)20/h1-8H,(H,23,25)(H,24,26)/b21-5+,22-6+
InChIKeyYRQDQFZGBRMIEO-OXAZHYLESA-N
MW641.90 g/mol
LogP6.51
Rot. Bonds5

About [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate

[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate (PubChem CID 51064340) has the molecular formula C16H10Br4N4O4 and a molecular weight of 641.90 g/mol. Its IUPAC name is [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate.

Molecular Properties

Compound Name[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate
PubChem CID51064340
Molecular FormulaC16H10Br4N4O4
Molecular Weight641.90 g/mol
Exact Mass637.74
IUPAC Name[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate
SMILESO=C(Nc1ccc(Br)cc1Br)O/N=C/C=N/OC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H10Br4N4O4/c17-9-1-3-13(11(19)7-9)23-15(25)27-21-5-6-22-28-16(26)24-14-4-2-10(18)8-12(14)20/h1-8H,(H,23,25)(H,24,26)/b21-5+,22-6+
InChIKeyYRQDQFZGBRMIEO-OXAZHYLESA-N
XLogP6.51
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.90
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
[(E)-[(2Z)-2-[(4-methyl-2-nitrophenyl)carbamoyloxyimino]ethylidene]amino] N-(4-methyl-2-nitrophenyl)carbamate
CID 51064197
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
2-(2-aminoethoxy)-N-(2,4-dibromophenyl)acetamide
CID 79473463
N-(2,4-dibromophenyl)hexanamide
CID 4251482
4-(2,4-dibromoanilino)-2-methyl-4-oxobut-2-enoate
CID 4748169
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
(E)-4-[(2,4-dibromophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 109374331
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate?
The IUPAC name of [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate (CID 51064340) is [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate.
What is the SMILES notation for [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate?
The canonical SMILES for [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate is O=C(Nc1ccc(Br)cc1Br)O/N=C/C=N/OC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate?
The InChIKey is YRQDQFZGBRMIEO-OXAZHYLESA-N. The full InChI is InChI=1S/C16H10Br4N4O4/c17-9-1-3-13(11(19)7-9)23-15(25)27-21-5-6-22-28-16(26)24-14-4-2-10(18)8-12(14)20/h1-8H,(H,23,25)(H,24,26)/b21-5+,22-6+.
What are the key properties of [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate?
[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate has a molecular weight of 641.90 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate is sourced from PubChem (CID 51064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).