2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide

C16H21BrClN3O — CID 2843077

IUPAC2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
SMILESO=C(CNc1ccc(Cl)cc1Br)NN=C1CCCCCCC1
InChIInChI=1S/C16H21BrClN3O/c17-14-10-12(18)8-9-15(14)19-11-16(22)21-20-13-6-4-2-1-3-5-7-13/h8-10,19H,1-7,11H2,(H,21,22)
InChIKeySQFMBCYGNJTTIR-UHFFFAOYSA-N
MW386.72 g/mol
LogP4.73
Rot. Bonds4

About 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide

2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide (PubChem CID 2843077) has the molecular formula C16H21BrClN3O and a molecular weight of 386.72 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
PubChem CID2843077
Molecular FormulaC16H21BrClN3O
Molecular Weight386.72 g/mol
Exact Mass385.06
IUPAC Name2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
SMILESO=C(CNc1ccc(Cl)cc1Br)NN=C1CCCCCCC1
InChIInChI=1S/C16H21BrClN3O/c17-14-10-12(18)8-9-15(14)19-11-16(22)21-20-13-6-4-2-1-3-5-7-13/h8-10,19H,1-7,11H2,(H,21,22)
InChIKeySQFMBCYGNJTTIR-UHFFFAOYSA-N
XLogP4.73
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 1379155
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 54786974
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 4037059
N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide
CID 690335
2-(4-chlorophenyl)sulfanyl-N-(cyclooctylideneamino)acetamide
CID 722531
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
CID 9121559
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 7228655

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide (CID 2843077) is 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide is O=C(CNc1ccc(Cl)cc1Br)NN=C1CCCCCCC1.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide?
The InChIKey is SQFMBCYGNJTTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3O/c17-14-10-12(18)8-9-15(14)19-11-16(22)21-20-13-6-4-2-1-3-5-7-13/h8-10,19H,1-7,11H2,(H,21,22).
What are the key properties of 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide?
2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide has a molecular weight of 386.72 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide is sourced from PubChem (CID 2843077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).