2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide

C15H19BrClN3O — CID 1379155

IUPAC2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@@H]1CCCCC1=NNC(=O)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C15H19BrClN3O/c1-10-4-2-3-5-13(10)19-20-15(21)9-18-14-7-6-11(17)8-12(14)16/h6-8,10,18H,2-5,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyBJKUVKHEVMSSTN-SNVBAGLBSA-N
MW372.69 g/mol
LogP4.20
Rot. Bonds4

About 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide

2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide (PubChem CID 1379155) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
PubChem CID1379155
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@@H]1CCCCC1=NNC(=O)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C15H19BrClN3O/c1-10-4-2-3-5-13(10)19-20-15(21)9-18-14-7-6-11(17)8-12(14)16/h6-8,10,18H,2-5,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyBJKUVKHEVMSSTN-SNVBAGLBSA-N
XLogP4.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.20
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-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
CID 2843077
2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5338973
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 4037059
N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 1219472
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[(2R)-2-methylcyclohexylidene]amino]butanediamide
CID 6989422
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide (CID 1379155) is 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide is C[C@@H]1CCCCC1=NNC(=O)CNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide?
The InChIKey is BJKUVKHEVMSSTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-10-4-2-3-5-13(10)19-20-15(21)9-18-14-7-6-11(17)8-12(14)16/h6-8,10,18H,2-5,9H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide?
2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide has a molecular weight of 372.69 g/mol, XLogP of 4.20, 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-[[(2R)-2-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 1379155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).